3EKY
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![BU of 3eky by Molmil](/molmil-images/mine/3eky) | Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2008-09-19 | Release date: | 2009-09-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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3EL1
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![BU of 3el1 by Molmil](/molmil-images/mine/3el1) | Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2008-09-19 | Release date: | 2009-09-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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4IKF
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![BU of 4ikf by Molmil](/molmil-images/mine/4ikf) | PFV intasome with inhibitor MB-76 | Descriptor: | 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', AMMONIUM ION, ... | Authors: | Taltynov, O, Demeulemeester, J, Desimmie, B.A, Suchaud, V, Billamboz, M, Lion, C, Bailly, F, Debyser, Z, Cotelle, P, Christ, F, Strelkov, S.V. | Deposit date: | 2012-12-26 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | 2-Hydroxyisoquinoline-1,3(2H,4H)-diones (HIDs), novel inhibitors of HIV integrase with a high barrier to resistance. Acs Chem.Biol., 8, 2013
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4UWX
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![BU of 4uwx by Molmil](/molmil-images/mine/4uwx) | Structure of liprin-alpha3 in complex with mDia1 Diaphanous- inhibitory domain | Descriptor: | LIPRIN-ALPHA-3, NICKEL (II) ION, PROTEIN DIAPHANOUS HOMOLOG 1, ... | Authors: | Brenig, J, de Boor, S, Knyphausen, P, Kuhlmann, N, Wroblowski, S, Baldus, L, Scislowski, L, Artz, O, Trauschies, P, Baumann, U, Neundorf, I, Lammers, M. | Deposit date: | 2014-08-15 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Biochemical Basis for the Inhibitory Effect of Liprin-Alpha3 on Mouse Diaphanous 1 (Mdia1) Function. J.Biol.Chem., 290, 2015
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3ET6
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![BU of 3et6 by Molmil](/molmil-images/mine/3et6) | The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase | Descriptor: | PHOSPHATE ION, Soluble guanylyl cyclase beta | Authors: | Winger, J.A, Derbyshire, E.R, Lamers, M.H, Marletta, M.A, Kuriyan, J. | Deposit date: | 2008-10-07 | Release date: | 2008-10-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase. Bmc Struct.Biol., 8, 2008
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6IN7
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![BU of 6in7 by Molmil](/molmil-images/mine/6in7) | Crystal structure of AlgU in complex with MucA(cyto) | Descriptor: | NICOTINAMIDE, RNA polymerase sigma-H factor, Sigma factor AlgU negative regulatory protein | Authors: | Li, S, Zhang, Q, Bartlam, M. | Deposit date: | 2018-10-24 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa. Febs J., 286, 2019
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6IN9
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![BU of 6in9 by Molmil](/molmil-images/mine/6in9) | Crystal structure of MucB in complex with MucA(peri) | Descriptor: | Sigma factor AlgU negative regulatory protein, Sigma factor AlgU regulatory protein MucB | Authors: | Li, S, Zhang, Q, Bartlam, M. | Deposit date: | 2018-10-24 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa. Febs J., 286, 2019
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6IKK
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![BU of 6ikk by Molmil](/molmil-images/mine/6ikk) | |
3EBJ
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![BU of 3ebj by Molmil](/molmil-images/mine/3ebj) | Crystal structure of an avian influenza virus protein | Descriptor: | MAGNESIUM ION, Polymerase acidic protein | Authors: | Yuan, P, Bartlam, M, Lou, Z, Chen, S, Rao, Z, Liu, Y. | Deposit date: | 2008-08-27 | Release date: | 2009-02-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of an avian influenza polymerase PA(N) reveals an endonuclease active site Nature, 458, 2009
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6INB
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![BU of 6inb by Molmil](/molmil-images/mine/6inb) | |
6IKI
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![BU of 6iki by Molmil](/molmil-images/mine/6iki) | Crystal structure of YfiB(W55L) | Descriptor: | GLYCEROL, SULFATE ION, YfiB | Authors: | Li, S, Zhang, Q, Bartlam, M. | Deposit date: | 2018-10-16 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Structural analysis of activating mutants of YfiB from Pseudomonas aeruginosa PAO1. Biochem. Biophys. Res. Commun., 506, 2018
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6INC
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![BU of 6inc by Molmil](/molmil-images/mine/6inc) | Crystal structure of an acetolactate decarboxylase from Klebsiella pneumoniae | Descriptor: | 1,2-ETHANEDIOL, Alpha-acetolactate decarboxylase, CHLORIDE ION, ... | Authors: | Wu, W, Zhang, Q, Bartlam, M. | Deposit date: | 2018-10-24 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Structural characterization of an acetolactate decarboxylase from Klebsiella pneumoniae Biochem. Biophys. Res. Commun., 509, 2019
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4R0S
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![BU of 4r0s by Molmil](/molmil-images/mine/4r0s) | Crystal structure of P. aeruginosa TpbA | Descriptor: | GLYCEROL, PHOSPHATE ION, Protein tyrosine phosphatase TpbA | Authors: | Xu, K, Li, S, Wang, Y, Bartlam, M. | Deposit date: | 2014-08-01 | Release date: | 2015-05-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural and Biochemical Analysis of Tyrosine Phosphatase Related to Biofilm Formation A (TpbA) from the Opportunistic Pathogen Pseudomonas aeruginosa PAO1 PLoS ONE, 10, 2015
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2ICJ
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![BU of 2icj by Molmil](/molmil-images/mine/2icj) | The crystal structure of human isopentenyl diphophate isomerase | Descriptor: | Isopentenyl-diphosphate delta isomerase, MAGNESIUM ION, SULFATE ION | Authors: | Zheng, W, Bartlam, M, Rao, Z. | Deposit date: | 2006-09-12 | Release date: | 2007-03-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of human isopentenyl diphosphate isomerase at 1.7 A resolution reveals its catalytic mechanism in isoprenoid biosynthesis J.Mol.Biol., 366, 2007
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3EWP
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![BU of 3ewp by Molmil](/molmil-images/mine/3ewp) | complex of substrate ADP-ribose with IBV Nsp3 ADRP domain | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | Authors: | Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z. | Deposit date: | 2008-10-16 | Release date: | 2009-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain. J.Virol., 83, 2009
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3EWQ
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![BU of 3ewq by Molmil](/molmil-images/mine/3ewq) | HCov-229E Nsp3 ADRP domain | Descriptor: | Non-structural protein 3 | Authors: | Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z. | Deposit date: | 2008-10-16 | Release date: | 2009-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain. J.Virol., 83, 2009
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3EWR
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![BU of 3ewr by Molmil](/molmil-images/mine/3ewr) | complex of substrate ADP-ribose with HCoV-229E Nsp3 ADRP domain | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | Authors: | Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z. | Deposit date: | 2008-10-16 | Release date: | 2009-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structures of two coronavirus ADP-ribose-1''-monophosphatases and their complexes with ADP-Ribose: a systematic structural analysis of the viral ADRP domain. J.Virol., 83, 2009
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6WQD
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![BU of 6wqd by Molmil](/molmil-images/mine/6wqd) | The 1.95 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS-CoV-2 | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8 | Authors: | Kim, Y, Wilamowski, M, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-28 | Release date: | 2020-05-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication. Biophys.J., 120, 2021
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6NZN
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![BU of 6nzn by Molmil](/molmil-images/mine/6nzn) | Dimer-of-dimer amyloid fibril structure of glucagon | Descriptor: | Glucagon | Authors: | Gelenter, M.D, Smith, K.J, Liao, S.Y, Mandala, V.S, Dregni, A.J, Lamm, M.S, Tian, Y, Wei, X, Pochan, D.J, Tucker, T.J, Su, Y, Hong, M. | Deposit date: | 2019-02-14 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | The peptide hormone glucagon forms amyloid fibrils with two coexisting beta-strand conformations. Nat.Struct.Mol.Biol., 26, 2019
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4X42
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![BU of 4x42 by Molmil](/molmil-images/mine/4x42) | Crystal structure of DEN4 ED3 mutant with epitope two residues substituted from DEN3 ED3 | Descriptor: | Envelope protein E, SULFATE ION | Authors: | Kulkarni, M.R, Islam, M.M, Numoto, N, Elahi, M.M, Ito, N, Kuroda, Y. | Deposit date: | 2014-12-02 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural and biophysical analysis of sero-specific immune responses using epitope grafted Dengue ED3 mutants. Biochim.Biophys.Acta, 1854, 2015
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6YKG
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![BU of 6ykg by Molmil](/molmil-images/mine/6ykg) | |
5LEW
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![BU of 5lew by Molmil](/molmil-images/mine/5lew) | DNA polymerase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA polymerase III subunit alpha, SULFATE ION, ... | Authors: | Banos-Mateos, S, Lang, U.F, Maslen, S.L, Skehel, J.M, Lamers, M.H. | Deposit date: | 2016-06-30 | Release date: | 2017-10-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | High-fidelity DNA replication in Mycobacterium tuberculosis relies on a trinuclear zinc center. Nat Commun, 8, 2017
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7AC0
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![BU of 7ac0 by Molmil](/molmil-images/mine/7ac0) | Epoxide hydrolase CorEH without ligand | Descriptor: | Soluble epoxide hydrolase | Authors: | Palm, G.J, Lammers, M, Berndt, L. | Deposit date: | 2020-09-09 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.177 Å) | Cite: | Promiscuous Dehalogenase Activity of the Epoxide Hydrolase CorEH from Corynebacterium sp. C12 Acs Catalysis, 11, 2021
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5MHP
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![BU of 5mhp by Molmil](/molmil-images/mine/5mhp) | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | Descriptor: | 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L. | Deposit date: | 2016-11-25 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis. J. Med. Chem., 60, 2017
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4WP6
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![BU of 4wp6 by Molmil](/molmil-images/mine/4wp6) | Structure of the Mex67 LRR domain from Chaetomium thermophilum | Descriptor: | mRNA export protein | Authors: | Aibara, S, Valkov, E, Lamers, M, Stewart, M. | Deposit date: | 2014-10-17 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural characterization of the principal mRNA-export factor Mex67-Mtr2 from Chaetomium thermophilum. Acta Crystallogr.,Sect.F, 71, 2015
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