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PDB: 498 件

3EKY
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Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir
分子名称: (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, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2008-09-19
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EL1
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Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir
分子名称: (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, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2008-09-19
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
4IKF
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BU of 4ikf by Molmil
PFV intasome with inhibitor MB-76
分子名称: 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, ...
著者Taltynov, O, Demeulemeester, J, Desimmie, B.A, Suchaud, V, Billamboz, M, Lion, C, Bailly, F, Debyser, Z, Cotelle, P, Christ, F, Strelkov, S.V.
登録日2012-12-26
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献2-Hydroxyisoquinoline-1,3(2H,4H)-diones (HIDs), novel inhibitors of HIV integrase with a high barrier to resistance.
Acs Chem.Biol., 8, 2013
4UWX
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Structure of liprin-alpha3 in complex with mDia1 Diaphanous- inhibitory domain
分子名称: LIPRIN-ALPHA-3, NICKEL (II) ION, PROTEIN DIAPHANOUS HOMOLOG 1, ...
著者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.
登録日2014-08-15
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Biochemical Basis for the Inhibitory Effect of Liprin-Alpha3 on Mouse Diaphanous 1 (Mdia1) Function.
J.Biol.Chem., 290, 2015
3ET6
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The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase
分子名称: PHOSPHATE ION, Soluble guanylyl cyclase beta
著者Winger, J.A, Derbyshire, E.R, Lamers, M.H, Marletta, M.A, Kuriyan, J.
登録日2008-10-07
公開日2008-10-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal structure of the catalytic domain of a eukaryotic guanylate cyclase.
Bmc Struct.Biol., 8, 2008
6IN7
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BU of 6in7 by Molmil
Crystal structure of AlgU in complex with MucA(cyto)
分子名称: NICOTINAMIDE, RNA polymerase sigma-H factor, Sigma factor AlgU negative regulatory protein
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-24
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
6IN9
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Crystal structure of MucB in complex with MucA(peri)
分子名称: Sigma factor AlgU negative regulatory protein, Sigma factor AlgU regulatory protein MucB
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-24
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
6IKK
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Crystal structure of YfiB(L43P) in complex with YfiR
分子名称: SULFATE ION, YfiB, YfiR
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-16
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural analysis of activating mutants of YfiB from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 506, 2018
3EBJ
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Crystal structure of an avian influenza virus protein
分子名称: MAGNESIUM ION, Polymerase acidic protein
著者Yuan, P, Bartlam, M, Lou, Z, Chen, S, Rao, Z, Liu, Y.
登録日2008-08-27
公開日2009-02-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of an avian influenza polymerase PA(N) reveals an endonuclease active site
Nature, 458, 2009
6INB
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Crystal structure of an acetolactate decarboxylase from Klebsiella pneumoniae
分子名称: Alpha-acetolactate decarboxylase, CHLORIDE ION, ZINC ION
著者Wu, W, Zhang, Q, Bartlam, M.
登録日2018-10-24
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural characterization of an acetolactate decarboxylase from Klebsiella pneumoniae
Biochem. Biophys. Res. Commun., 509, 2019
6IKI
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Crystal structure of YfiB(W55L)
分子名称: GLYCEROL, SULFATE ION, YfiB
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-16
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Structural analysis of activating mutants of YfiB from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 506, 2018
6INC
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BU of 6inc by Molmil
Crystal structure of an acetolactate decarboxylase from Klebsiella pneumoniae
分子名称: 1,2-ETHANEDIOL, Alpha-acetolactate decarboxylase, CHLORIDE ION, ...
著者Wu, W, Zhang, Q, Bartlam, M.
登録日2018-10-24
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Structural characterization of an acetolactate decarboxylase from Klebsiella pneumoniae
Biochem. Biophys. Res. Commun., 509, 2019
4R0S
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BU of 4r0s by Molmil
Crystal structure of P. aeruginosa TpbA
分子名称: GLYCEROL, PHOSPHATE ION, Protein tyrosine phosphatase TpbA
著者Xu, K, Li, S, Wang, Y, Bartlam, M.
登録日2014-08-01
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural and Biochemical Analysis of Tyrosine Phosphatase Related to Biofilm Formation A (TpbA) from the Opportunistic Pathogen Pseudomonas aeruginosa PAO1
PLoS ONE, 10, 2015
2ICJ
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BU of 2icj by Molmil
The crystal structure of human isopentenyl diphophate isomerase
分子名称: Isopentenyl-diphosphate delta isomerase, MAGNESIUM ION, SULFATE ION
著者Zheng, W, Bartlam, M, Rao, Z.
登録日2006-09-12
公開日2007-03-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
3EWP
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BU of 3ewp by Molmil
complex of substrate ADP-ribose with IBV Nsp3 ADRP domain
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
著者Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z.
登録日2008-10-16
公開日2009-01-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
3EWQ
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BU of 3ewq by Molmil
HCov-229E Nsp3 ADRP domain
分子名称: Non-structural protein 3
著者Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z.
登録日2008-10-16
公開日2009-01-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
3EWR
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complex of substrate ADP-ribose with HCoV-229E Nsp3 ADRP domain
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
著者Xu, Y, Cong, L, Chen, C, Wei, L, Zhao, Q, Xu, X, Ma, Y, Bartlam, M, Rao, Z.
登録日2008-10-16
公開日2009-01-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献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
6WQD
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BU of 6wqd by Molmil
The 1.95 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS-CoV-2
分子名称: 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8
著者Kim, Y, Wilamowski, M, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-28
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
6NZN
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Dimer-of-dimer amyloid fibril structure of glucagon
分子名称: Glucagon
著者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.
登録日2019-02-14
公開日2019-06-05
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献The peptide hormone glucagon forms amyloid fibrils with two coexisting beta-strand conformations.
Nat.Struct.Mol.Biol., 26, 2019
4X42
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Crystal structure of DEN4 ED3 mutant with epitope two residues substituted from DEN3 ED3
分子名称: Envelope protein E, SULFATE ION
著者Kulkarni, M.R, Islam, M.M, Numoto, N, Elahi, M.M, Ito, N, Kuroda, Y.
登録日2014-12-02
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structural and biophysical analysis of sero-specific immune responses using epitope grafted Dengue ED3 mutants.
Biochim.Biophys.Acta, 1854, 2015
6YKG
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Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease
分子名称: 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Van de Poel, A, Leonard, P.M, Lamers, M.B.A.C.
登録日2020-04-06
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.
J.Med.Chem., 64, 2021
5LEW
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BU of 5lew by Molmil
DNA polymerase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA polymerase III subunit alpha, SULFATE ION, ...
著者Banos-Mateos, S, Lang, U.F, Maslen, S.L, Skehel, J.M, Lamers, M.H.
登録日2016-06-30
公開日2017-10-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献High-fidelity DNA replication in Mycobacterium tuberculosis relies on a trinuclear zinc center.
Nat Commun, 8, 2017
7AC0
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Epoxide hydrolase CorEH without ligand
分子名称: Soluble epoxide hydrolase
著者Palm, G.J, Lammers, M, Berndt, L.
登録日2020-09-09
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.177 Å)
主引用文献Promiscuous Dehalogenase Activity of the Epoxide Hydrolase CorEH from Corynebacterium sp. C12
Acs Catalysis, 11, 2021
5MHP
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Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
分子名称: 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, ...
著者Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L.
登録日2016-11-25
公開日2017-08-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献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
4WP6
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Structure of the Mex67 LRR domain from Chaetomium thermophilum
分子名称: mRNA export protein
著者Aibara, S, Valkov, E, Lamers, M, Stewart, M.
登録日2014-10-17
公開日2015-07-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural characterization of the principal mRNA-export factor Mex67-Mtr2 from Chaetomium thermophilum.
Acta Crystallogr.,Sect.F, 71, 2015

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