6RMG
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![BU of 6rmg by Molmil](/molmil-images/mine/6rmg) | Structure of PTCH1 bound to a modified Hedgehog ligand ShhN-C24II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Korkhov, V.M, Qi, C. | Deposit date: | 2019-05-06 | Release date: | 2019-10-09 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of sterol recognition by human hedgehog receptor PTCH1. Sci Adv, 5, 2019
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1P4L
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![BU of 1p4l by Molmil](/molmil-images/mine/1p4l) | Crystal structure of NK receptor Ly49C mutant with its MHC class I ligand H-2Kb | Descriptor: | Beta-2-microglobulin, LY49-C, MHC CLASS I H-2KB HEAVY CHAIN, ... | Authors: | Dam, J, Guan, R, Natarajan, K, Dimasi, N, Mariuzza, R.A. | Deposit date: | 2003-04-23 | Release date: | 2003-11-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Variable MHC class I engagement by Ly49 natural killer cell receptors demonstrated by the crystal structure of Ly49C bound to H-2K(b). Nat.Immunol., 4, 2003
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6TDH
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![BU of 6tdh by Molmil](/molmil-images/mine/6tdh) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 1 | Descriptor: | 3-(2-chlorophenyl)-4~{H}-1,2,4-triazole, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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6TDF
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![BU of 6tdf by Molmil](/molmil-images/mine/6tdf) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3 | Descriptor: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol, 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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5NRY
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![BU of 5nry by Molmil](/molmil-images/mine/5nry) | Cys-Gly dipeptidase GliJ in complex with Fe3+ | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, FE (III) ION | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2017-04-25 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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2M3O
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![BU of 2m3o by Molmil](/molmil-images/mine/2m3o) | Structure and dynamics of a human Nedd4 WW domain-ENaC complex | Descriptor: | Amiloride-sensitive sodium channel subunit alpha, E3 ubiquitin-protein ligase NEDD4 | Authors: | Bobby, R, Medini, K, Neudecker, P, Lee, V, MacDonald, F.J, Brimble, M.A, Lott, J, Dingley, A.J. | Deposit date: | 2013-01-23 | Release date: | 2013-08-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of human Nedd4-1 WW3 in complex with the alpha ENaC PY motif. Biochim.Biophys.Acta, 1834, 2013
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1ZVK
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![BU of 1zvk by Molmil](/molmil-images/mine/1zvk) | Structure of Double mutant, D164N, E78H of Kumamolisin-As | Descriptor: | CALCIUM ION, kumamolisin-As | Authors: | Li, M, Wlodawer, A, Gustchina, A, Nakayama, T. | Deposit date: | 2005-06-02 | Release date: | 2006-05-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Processing, catalytic activity and crystal structures of kumamolisin-As with an engineered active site. Febs J., 273, 2006
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1ZVJ
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![BU of 1zvj by Molmil](/molmil-images/mine/1zvj) | Structure of Kumamolisin-AS mutant, D164N | Descriptor: | CALCIUM ION, SULFATE ION, kumamolisin-As | Authors: | Li, M, Wlodawer, A, Gustchina, A, Nakayama, T. | Deposit date: | 2005-06-02 | Release date: | 2006-05-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Processing, catalytic activity and crystal structures of kumamolisin-As with an engineered active site. Febs J., 273, 2006
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2KNB
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![BU of 2knb by Molmil](/molmil-images/mine/2knb) | Solution NMR structure of the parkin Ubl domain in complex with the endophilin-A1 SH3 domain | Descriptor: | E3 ubiquitin-protein ligase parkin, Endophilin-A1 | Authors: | Trempe, J, Guennadi, K, Edna, C.M, Kalle, G. | Deposit date: | 2009-08-20 | Release date: | 2009-12-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | SH3 domains from a subset of BAR proteins define a Ubl-binding domain and implicate parkin in synaptic ubiquitination. Mol.Cell, 36, 2009
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6U0A
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![BU of 6u0a by Molmil](/molmil-images/mine/6u0a) | Human Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) with Glycerol | Descriptor: | Angiopoietin-related protein 4, GLYCEROL | Authors: | Tarver, C.L, Yuan, Q, Singhal, A.J, Ramaker, R, Cooper, S, Pusey, M.L. | Deposit date: | 2019-08-14 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal Structures of Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) Reveal a Binding Pocket with Multiple Ligands To Be Published
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7YCE
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![BU of 7yce by Molmil](/molmil-images/mine/7yce) | KRas G12C in complex with Compound 7b | Descriptor: | 1-[7-[6-chloranyl-2-(1-ethylpiperidin-4-yl)oxy-8-fluoranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y. | Deposit date: | 2022-07-01 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and biological evaluation of 1-{2,7-diazaspiro[3.5]nonan-2-yl}prop-2-en-1-one derivatives as covalent inhibitors of KRAS G12C with favorable metabolic stability and anti-tumor activity. Bioorg.Med.Chem., 71, 2022
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1AX9
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![BU of 1ax9 by Molmil](/molmil-images/mine/1ax9) | ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, LAUE DATA | Descriptor: | ACETYLCHOLINESTERASE, EDROPHONIUM ION | Authors: | Raves, M.L, Ravelli, R.B.G, Sussman, J.L, Harel, M, Silman, I. | Deposit date: | 1997-11-03 | Release date: | 1998-02-11 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Static Laue diffraction studies on acetylcholinesterase. Acta Crystallogr.,Sect.D, 54, 1998
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7P0Q
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![BU of 7p0q by Molmil](/molmil-images/mine/7p0q) | F(M197)H mutant structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV by fixed-target serial synchrotron crystallography (100K, 26keV) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ... | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Guenther, S, Meents, A, Fufina, T.Y, Vasilieva, L.G. | Deposit date: | 2021-06-30 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | X-Ray structure of Rhodobacter sphaeroides reaction center with M197 Phe-His substitution clarifies properties of the mutant complex To Be Published
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6U1U
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![BU of 6u1u by Molmil](/molmil-images/mine/6u1u) | Human Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) with Palmitic Acid | Descriptor: | Angiopoietin-related protein 4, PALMITIC ACID | Authors: | Tarver, C.L, Yuan, Q, Singhal, A.J, Ramaker, R, Cooper, S, Pusey, M.L. | Deposit date: | 2019-08-16 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structures of Angiopoietin-Like 4 C-Terminal Domain (cANGPTL4) Reveal a Binding Pocket with Multiple Ligands To Be Published
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5EIU
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![BU of 5eiu by Molmil](/molmil-images/mine/5eiu) | Mini TRIM5 B-box 2 dimer C2 crystal form | Descriptor: | TRIM protein-E3 ligase Chimera, ZINC ION | Authors: | Wagner, J.M, Doss, G, Pornillos, O. | Deposit date: | 2015-10-30 | Release date: | 2016-06-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.908 Å) | Cite: | Mechanism of B-box 2 domain-mediated higher-order assembly of the retroviral restriction factor TRIM5 alpha. Elife, 5, 2016
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6R1P
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![BU of 6r1p by Molmil](/molmil-images/mine/6r1p) | EthR ligand complex | Descriptor: | 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one, HTH-type transcriptional regulator EthR | Authors: | Pohl, E, Tatum, N. | Deposit date: | 2019-03-14 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds. J Phys Chem Lett, 10, 2019
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6R1S
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![BU of 6r1s by Molmil](/molmil-images/mine/6r1s) | EthR ligand complex | Descriptor: | 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide, HTH-type transcriptional regulator EthR | Authors: | Pohl, E, Tatum, N. | Deposit date: | 2019-03-14 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds. J Phys Chem Lett, 10, 2019
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6XZE
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![BU of 6xze by Molmil](/molmil-images/mine/6xze) | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-04 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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5LX1
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![BU of 5lx1 by Molmil](/molmil-images/mine/5lx1) | Cys-Gly dipeptidase GliJ mutant D304A | Descriptor: | Dipeptidase, FE (III) ION, GLYCEROL | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2016-09-19 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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1CFW
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![BU of 1cfw by Molmil](/molmil-images/mine/1cfw) | GA-SUBSTITUTED DESULFOREDOXIN | Descriptor: | GALLIUM (III) ION, PROTEIN (DESULFOREDOXIN), SULFATE ION | Authors: | Archer, M, Carvalho, A.L, Teixeira, S, Moura, I, Moura, J.J.G, Rusnak, F, Romao, M.J. | Deposit date: | 1999-03-22 | Release date: | 1999-07-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies by X-ray diffraction on metal substituted desulforedoxin, a rubredoxin-type protein. Protein Sci., 8, 1999
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7ARQ
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![BU of 7arq by Molmil](/molmil-images/mine/7arq) | Cryo EM of 3D DNA origami 16 helix bundle | Descriptor: | SCAFFOLD STRAND, STAPLE STRAND | Authors: | Feigl, E, Kube, M, Kohler, F. | Deposit date: | 2020-10-26 | Release date: | 2020-11-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution. Nat Commun, 11, 2020
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5LX7
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![BU of 5lx7 by Molmil](/molmil-images/mine/5lx7) | Cys-Gly dipeptidase GliJ mutant D38N | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dipeptidase, FE (III) ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2016-09-20 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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7PUF
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![BU of 7puf by Molmil](/molmil-images/mine/7puf) | urate oxidase azaxanthine complex under 600 bar (60 MPa) of argon | Descriptor: | 8-AZAXANTHINE, ARGON, SODIUM ION, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | Deposit date: | 2021-09-29 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
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7Q09
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![BU of 7q09 by Molmil](/molmil-images/mine/7q09) | URATE OXIDASE AZA-XANTHINE COMPLEX UNDER 1500 BAR OF ARGON | Descriptor: | 8-AZAXANTHINE, ACETYL GROUP, ARGON, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | Deposit date: | 2021-10-14 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
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7PWN
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![BU of 7pwn by Molmil](/molmil-images/mine/7pwn) | URATE OXYDASE AZA-XANTHINE COMPLEX AT 1000 BARS (100 MPa) OF ARGON | Descriptor: | 8-AZAXANTHINE, ARGON, SODIUM ION, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | Deposit date: | 2021-10-07 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
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