3IGV
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![BU of 3igv by Molmil](/molmil-images/mine/3igv) | Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor | Descriptor: | N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | Deposit date: | 2009-07-28 | Release date: | 2009-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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7VIX
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![BU of 7vix by Molmil](/molmil-images/mine/7vix) | class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (10 ns time-point) | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2021-09-28 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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6HCK
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![BU of 6hck by Molmil](/molmil-images/mine/6hck) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with dipeptide Leu-Leu | Descriptor: | LEUCINE, Listeriolysin regulatory protein, SODIUM ION | Authors: | Grundstrom, C, Oelker, M, Krypotou, E, Scortti, M, Luisi, B.F, Vazquez-Boland, J, Sauer-Eriksson, A.E. | Deposit date: | 2018-08-15 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Control of Bacterial Virulence through the Peptide Signature of the Habitat. Cell Rep, 26, 2019
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7VJ7
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![BU of 7vj7 by Molmil](/molmil-images/mine/7vj7) | SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the fully reduced state | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2021-09-28 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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7VJJ
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![BU of 7vjj by Molmil](/molmil-images/mine/7vjj) | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (30 us time-point) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2021-09-28 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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2W0Q
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![BU of 2w0q by Molmil](/molmil-images/mine/2w0q) | E. coli copper amine oxidase in complex with Xenon | Descriptor: | CALCIUM ION, COPPER (II) ION, COPPER AMINE OXIDASE, ... | Authors: | Pirrat, P, Smith, M.A, Pearson, A.R, McPherson, M.J, Phillips, S.E.V. | Deposit date: | 2008-08-20 | Release date: | 2008-12-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure of a Xenon Derivative of Escherichia Coli Copper Amine Oxidase: Confirmation of the Proposed Oxygen-Entry Pathway. Acta Crystallogr.,Sect.F, 64, 2008
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6ZEA
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![BU of 6zea by Molmil](/molmil-images/mine/6zea) | Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, (1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, 1,2-ETHANEDIOL, ... | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2020-06-16 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline To Be Published
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1YQ2
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![BU of 1yq2 by Molmil](/molmil-images/mine/1yq2) | beta-galactosidase from Arthrobacter sp. C2-2 (isoenzyme C2-2-1) | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Skalova, T, Dohnalek, J, Spiwok, V, Lipovova, P, Vondrackova, E, Petrokova, H, Strnad, H, Kralova, B, Hasek, J. | Deposit date: | 2005-02-01 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cold-active beta-Galactosidase from Arthrobacter sp. C2-2 Forms Compact 660kDa Hexamers: Crystal Structure at 1.9A Resolution J.Mol.Biol., 353, 2005
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6FN3
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![BU of 6fn3 by Molmil](/molmil-images/mine/6fn3) | X-ray structure of animal-like Cryptochrome from Chlamydomonas reinhardtii | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cryptochrome photoreceptor, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Franz, S, Ignatz, E, Wenzel, S, Zielosko, H, Yamamoto, J, Mittag, M, Essen, L.-O. | Deposit date: | 2018-02-02 | Release date: | 2018-08-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii. Nucleic Acids Res., 46, 2018
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7QW3
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![BU of 7qw3 by Molmil](/molmil-images/mine/7qw3) | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with Br ion. | Descriptor: | BROMIDE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | Deposit date: | 2022-01-24 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera To Be Published
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7QVW
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![BU of 7qvw by Molmil](/molmil-images/mine/7qvw) | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera | Descriptor: | CALCIUM ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | Deposit date: | 2022-01-23 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.922 Å) | Cite: | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera To Be Published
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3IQO
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![BU of 3iqo by Molmil](/molmil-images/mine/3iqo) | |
7ZLV
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![BU of 7zlv by Molmil](/molmil-images/mine/7zlv) | Tail tip of siphophage T5 : central fibre protein pb4 | Descriptor: | Probable central straight fiber | Authors: | Linares, R, Arnaud, C.A, Effantin, G, Epalle, N, Boeri Erba, E, Schoehn, G, Breyton, C. | Deposit date: | 2022-04-15 | Release date: | 2023-02-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.22 Å) | Cite: | Structural basis of bacteriophage T5 infection trigger and E. coli cell wall perforation. Sci Adv, 9, 2023
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7QWI
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![BU of 7qwi by Molmil](/molmil-images/mine/7qwi) | Vanadate complex of the vanadium-dependent bromoperoxidase from Corallina pilulifera | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | Authors: | Isupov, M.N, Mitchell, D, Littelchild, J.A, Garcia-Rodriguez, E. | Deposit date: | 2022-01-25 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera To Be Published
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6YZ1
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![BU of 6yz1 by Molmil](/molmil-images/mine/6yz1) | The crystal structure of SARS-CoV-2 nsp10-nsp16 methyltransferase complex with Sinefungin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SINEFUNGIN, ZINC ION, ... | Authors: | Krafcikova, P, Silhan, J, Nencka, R, Boura, E. | Deposit date: | 2020-05-06 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural analysis of the SARS-CoV-2 methyltransferase complex involved in RNA cap creation bound to sinefungin. Nat Commun, 11, 2020
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1JDI
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![BU of 1jdi by Molmil](/molmil-images/mine/1jdi) | CRYSTAL STRUCTURE OF L-RIBULOSE-5-PHOSPHATE 4-EPIMERASE | Descriptor: | L-RIBULOSE 5 PHOSPHATE 4-EPIMERASE, ZINC ION | Authors: | Luo, Y, Samuel, J, Mosimann, S.C, Lee, J.E, Tanner, M.E, Strynadka, N.C.J. | Deposit date: | 2001-06-13 | Release date: | 2002-01-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of L-ribulose-5-phosphate 4-epimerase: an aldolase-like platform for epimerization. Biochemistry, 40, 2001
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1R4P
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![BU of 1r4p by Molmil](/molmil-images/mine/1r4p) | Shiga toxin type 2 | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, FORMIC ACID, ... | Authors: | Fraser, M.E, Fujinaga, M, Cherney, M.M, Melton-Celsa, A.R, Twiddy, E.M, O'Brien, A.D, James, M.N.G. | Deposit date: | 2003-10-07 | Release date: | 2004-05-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure of Shiga Toxin Type 2 (Stx2) from Escherichia coli O157:H7. J.Biol.Chem., 279, 2004
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2UWE
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![BU of 2uwe by Molmil](/molmil-images/mine/2uwe) | Large CDR3a loop alteration as a function of MHC mutation | Descriptor: | AHIII TCR ALPHA CHAIN, AHIII TCR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | Authors: | Miller, P.J, Pazy, Y, Conti, B, Riddle, D, Biddison, W.E, Appella, E, Collins, E.J. | Deposit date: | 2007-03-20 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Single Mhc Mutation Eliminates Enthalpy Associated with T Cell Receptor Binding. J.Mol.Biol., 373, 2007
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6HR2
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![BU of 6hr2 by Molmil](/molmil-images/mine/6hr2) | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | Deposit date: | 2018-09-26 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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6Z1Q
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![BU of 6z1q by Molmil](/molmil-images/mine/6z1q) | MAP3K14 (NIK) in complex with DesF-3R/4076 | Descriptor: | DesF-3R/4076, Mitogen-activated protein kinase kinase kinase 14 | Authors: | Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R. | Deposit date: | 2020-05-14 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma Future Drug Discov, 2, 2020
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6Z2D
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![BU of 6z2d by Molmil](/molmil-images/mine/6z2d) | Crystal structure of wild type OgpA from Akkermansia muciniphila in P 41 21 2 | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, O-glycan protease, ... | Authors: | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | Deposit date: | 2020-05-15 | Release date: | 2020-09-30 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila. Nat Commun, 11, 2020
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6PM0
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![BU of 6pm0 by Molmil](/molmil-images/mine/6pm0) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Taurine in SMA, super-open state | Descriptor: | 2-AMINOETHANESULFONIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PLQ
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![BU of 6plq by Molmil](/molmil-images/mine/6plq) | CryoEM structure of zebra fish alpha-1 glycine receptor YGF mutant bound with GABA in SMA, super-open state | Descriptor: | GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PM3
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![BU of 6pm3 by Molmil](/molmil-images/mine/6pm3) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Taurine in SMA, closed state | Descriptor: | 2-AMINOETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1 | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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6PM1
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![BU of 6pm1 by Molmil](/molmil-images/mine/6pm1) | CryoEM structure of zebra fish alpha-1 glycine receptor bound with Taurine in SMA, desensitized state | Descriptor: | 2-AMINOETHANESULFONIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yu, J, Zhu, H, Gouaux, E. | Deposit date: | 2019-07-01 | Release date: | 2021-02-10 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of gating and partial agonist action in the glycine receptor. Cell, 184, 2021
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