1V2P
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![BU of 1v2p by Molmil](/molmil-images/mine/1v2p) | Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.A4 | Descriptor: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2W
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![BU of 1v2w by Molmil](/molmil-images/mine/1v2w) | Trypsin inhibitor in complex with bovine trypsin variant X(SSAI)bT.B4 | Descriptor: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2R
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![BU of 1v2r by Molmil](/molmil-images/mine/1v2r) | Trypsin inhibitor in complex with bovine trypsin variant X(SSRI)bT.B4 | Descriptor: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | Authors: | Rauh, D, Klebe, G, Stubbs, M.T. | Deposit date: | 2003-10-17 | Release date: | 2004-06-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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4V11
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![BU of 4v11 by Molmil](/molmil-images/mine/4v11) | Structure of Synaptotagmin-1 with SV2A peptide phosphorylated at Thr84 | Descriptor: | CALCIUM ION, GLYCEROL, SYNAPTIC VESICLE GLYCOPROTEIN 2A, ... | Authors: | Zhang, N, Gordon, S.L, Fritsch, M.J, Esoof, N, Campbell, D, Gourlay, R, Velupillai, S, Macartney, T, Peggie, M, vanAalten, D.M.F, Cousin, M.A, Alessi, D.R. | Deposit date: | 2014-09-22 | Release date: | 2015-02-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Phosphorylation of Synaptic Vesicle Protein 2A at Thr84 by Casein Kinase 1 Family Kinases Controls the Specific Retrieval of Synaptotagmin-1. J.Neurosci., 35, 2015
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4UUL
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![BU of 4uul by Molmil](/molmil-images/mine/4uul) | |
5JXV
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![BU of 5jxv by Molmil](/molmil-images/mine/5jxv) | Solid-state MAS NMR structure of immunoglobulin beta 1 binding domain of protein G (GB1) | Descriptor: | Immunoglobulin G-binding protein G | Authors: | Andreas, L.B, Jaudzems, K, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G. | Deposit date: | 2016-05-13 | Release date: | 2016-08-10 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | Structure of fully protonated proteins by proton-detected magic-angle spinning NMR. Proc.Natl.Acad.Sci.USA, 113, 2016
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5JZR
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![BU of 5jzr by Molmil](/molmil-images/mine/5jzr) | Solid-state MAS NMR structure of Acinetobacter phage 205 (AP205) coat protein in assembled capsid particles | Descriptor: | Coat protein | Authors: | Jaudzems, K, Andreas, L.B, Stanek, J, Lalli, D, Bertarello, A, Le Marchand, T, Cala-De Paepe, D, Kotelovica, S, Akopjana, I, Knott, B, Wegner, S, Engelke, F, Lesage, A, Emsley, L, Tars, K, Herrmann, T, Pintacuda, G. | Deposit date: | 2016-05-17 | Release date: | 2016-08-10 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | Structure of fully protonated proteins by proton-detected magic-angle spinning NMR. Proc.Natl.Acad.Sci.USA, 113, 2016
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7OK0
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![BU of 7ok0 by Molmil](/molmil-images/mine/7ok0) | Cryo-EM structure of the Sulfolobus acidocaldarius RNA polymerase at 2.88 A | Descriptor: | Conserved protein, DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit A'', ... | Authors: | Pilotto, S, Fouqueau, T, Lukoyanova, N, Sheppard, C, Lucas-Staat, S, Diaz-Santin, L.M, Matelska, D, Prangishvili, D, Cheung, A.C.M, Werner, F. | Deposit date: | 2021-05-17 | Release date: | 2021-08-25 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of RNA polymerase inhibition by viral and host factors. Nat Commun, 12, 2021
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7O82
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![BU of 7o82 by Molmil](/molmil-images/mine/7o82) | The L-arginine/agmatine antiporter from E. coli at 1.7 A resolution | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine/agmatine antiporter, DECANE, ... | Authors: | Jeckelmann, J.M, Ilgue, H, Kalbermatter, D, Fotiadis, D. | Deposit date: | 2021-04-14 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | High-resolution structure of the amino acid transporter AdiC reveals insights into the role of water molecules and networks in oligomerization and substrate binding. Bmc Biol., 19, 2021
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7PH3
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![BU of 7ph3 by Molmil](/molmil-images/mine/7ph3) | AMP-PNP bound nanodisc reconstituted MsbA with nanobodies, spin-labeled at position A60C | Descriptor: | (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ATP-dependent lipid A-core flippase, ... | Authors: | Parey, K, Januliene, D, Galazzo, L, Meier, G, Vecchis, D, Striednig, B, Hilbi, H, Schaefer, L.V, Kuprov, I, Bordignon, E, Seeger, M.A, Moeller, A. | Deposit date: | 2021-08-16 | Release date: | 2022-08-24 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells. Sci Adv, 8, 2022
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7PH7
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![BU of 7ph7 by Molmil](/molmil-images/mine/7ph7) | Nanodisc reconstituted MsbA in complex with nanobodies, spin-labeled at position T68C | Descriptor: | (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-oxan-2-yl]methoxy]-5-oxidanyl-oxane-2-carboxylic acid, ATP-binding transport protein multicopy suppressor of htrB, ... | Authors: | Parey, K, Januliene, D, Galazzo, L, Meier, G, Vecchis, D, Striednig, B, Hilbi, H, Schaefer, L.V, Kuprov, I, Bordignon, E, Seeger, M.A, Moeller, A. | Deposit date: | 2021-08-16 | Release date: | 2022-08-24 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells. Sci Adv, 8, 2022
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7PH2
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![BU of 7ph2 by Molmil](/molmil-images/mine/7ph2) | Nanodisc reconstituted MsbA in complex with nanobodies, spin-labeled at position A60C | Descriptor: | (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-oxan-2-yl]methoxy]-5-oxidanyl-oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase, ... | Authors: | Januliene, D, Parey, K, Galazzo, L, Meier, G, Vecchis, D, Striednig, B, Hilbi, H, Schaefer, L.V, Kuprov, I, Bordignon, E, Seeger, M.A, Moeller, A. | Deposit date: | 2021-08-16 | Release date: | 2022-08-24 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells. Sci Adv, 8, 2022
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7PH4
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![BU of 7ph4 by Molmil](/molmil-images/mine/7ph4) | AMP-PNP bound nanodisc reconstituted MsbA with nanobodies, spin-labeled at position T68C | Descriptor: | (1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione, ATP-dependent lipid A-core flippase, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Parey, K, Januliene, D, Galazzo, L, Meier, G, Vecchis, D, Striednig, B, Hilbi, H, Schaefer, L.V, Kuprov, I, Bordignon, E, Seeger, M.A, Moeller, A. | Deposit date: | 2021-08-16 | Release date: | 2022-08-24 | Last modified: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells. Sci Adv, 8, 2022
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4WAI
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![BU of 4wai by Molmil](/molmil-images/mine/4wai) | Structural characterization of the late competence protein ComFB from Bacillus subtilis. | Descriptor: | ComF operon protein 2, ZINC ION | Authors: | Sysoeva, T.A, Bane, L.B, Xiao, D, Gaudet, R, Burton, B.M. | Deposit date: | 2014-08-29 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.427 Å) | Cite: | Structural characterization of the late competence protein ComFB from Bacillus subtilis. Biosci.Rep., 35, 2015
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4UQO
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![BU of 4uqo by Molmil](/molmil-images/mine/4uqo) | RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION, ... | Authors: | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2014-06-24 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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8IBQ
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![BU of 8ibq by Molmil](/molmil-images/mine/8ibq) | Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-02-10 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
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8IDH
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![BU of 8idh by Molmil](/molmil-images/mine/8idh) | Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-02-13 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
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1J8Q
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![BU of 1j8q by Molmil](/molmil-images/mine/1j8q) | Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris Wild-type at 1.35 Angstrom Resolution | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Artali, R, Bombieri, G, Meneghetti, F, Gilardi, G, Sadeghi, S.J, Cavazzini, D, Rossi, G.L. | Deposit date: | 2001-05-22 | Release date: | 2001-09-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Comparison of the refined crystal structures of wild-type (1.34 A) flavodoxin from Desulfovibrio vulgaris and the S35C mutant (1.44 A) at 100 K. Acta Crystallogr.,Sect.D, 58, 2002
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7ZGX
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![BU of 7zgx by Molmil](/molmil-images/mine/7zgx) | S-layer Deinoxanthin Binding Complex, C1 symmetry | Descriptor: | S-layer protein SlpA | Authors: | Farci, D, Piano, D. | Deposit date: | 2022-04-04 | Release date: | 2022-07-13 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions. J.Biol.Chem., 298, 2022
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7ZGY
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![BU of 7zgy by Molmil](/molmil-images/mine/7zgy) | S-layer Deinoxanthin Binding Complex, C3 symmetry | Descriptor: | (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, FE (III) ION, ... | Authors: | Farci, D, Piano, D. | Deposit date: | 2022-04-04 | Release date: | 2022-07-13 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions. J.Biol.Chem., 298, 2022
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5K0K
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![BU of 5k0k by Molmil](/molmil-images/mine/5k0k) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434 | Descriptor: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V. | Deposit date: | 2016-05-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors. ACS Med Chem Lett, 7, 2016
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5K0X
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![BU of 5k0x by Molmil](/molmil-images/mine/5k0x) | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2541 | Descriptor: | (7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide, CHLORIDE ION, Tyrosine-protein kinase Mer | Authors: | McIver, A.L, Zhang, W, Liu, Q, Jiang, X, Stashko, M.A, Nichols, J, Miley, M.J, Norris-Drouin, J, Machius, M, DeRyckere, D, Wood, E, Graham, D.K, Earp, H.S, Kireev, D, Frye, S.V, Wang, X. | Deposit date: | 2016-05-17 | Release date: | 2017-02-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | Discovery of Macrocyclic Pyrimidines as MerTK-Specific Inhibitors. ChemMedChem, 12, 2017
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1IG6
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![BU of 1ig6 by Molmil](/molmil-images/mine/1ig6) | HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES | Descriptor: | MODULATOR RECOGNITION FACTOR 2 | Authors: | Lin, D, Tsui, V, Case, D, Yuan, Y.C, Chen, Y. | Deposit date: | 2001-04-17 | Release date: | 2001-04-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | HUMAN MRF-2 DOMAIN, NMR, 11 STRUCTURES To be Published
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1INQ
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![BU of 1inq by Molmil](/molmil-images/mine/1inq) | Structure of Minor Histocompatibility Antigen peptide, H13a, complexed to H2-Db | Descriptor: | BETA-2 MICROGLOBULIN, DIMETHYL SULFOXIDE, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Ostrov, D.A, Roden, M.M, Shi, W, Palmieri, E, Christianson, G.J, Mendoza, L, Villaflor, G, Tilley, D, Shastri, N, Grey, H, Almo, S.C, Roopenian, D, Nathenson, S.G. | Deposit date: | 2001-05-14 | Release date: | 2002-03-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How H13 histocompatibility peptides differing by a single methyl group and lacking conventional MHC binding anchor motifs determine self-nonself discrimination. J.Immunol., 168, 2002
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8PT4
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![BU of 8pt4 by Molmil](/molmil-images/mine/8pt4) | beta-Ureidopropionase tetramer | Descriptor: | Beta-ureidopropionase | Authors: | Cederfelt, D, Dobritzsch, D. | Deposit date: | 2023-07-13 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | The Allosteric Regulation of Beta-Ureidopropionase Depends on Fine-Tuned Stability of Active-Site Loops and Subunit Interfaces. Biomolecules, 13, 2023
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