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PDB: 1599 件

4RKJ
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Crystal structure of thrombin mutant S195T (free form)
分子名称: GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ...
著者Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E.
登録日2014-10-13
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
3G4D
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Crystal Structure of (+)-delta-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis
分子名称: (+)-delta-cadinene synthase isozyme XC1, BETA-MERCAPTOETHANOL, GLYCEROL
著者Gennadios, H.A, Di Costanzo, L, Miller, D.J, Allemann, R.K, Christianson, D.W.
登録日2009-02-03
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
6CL0
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Human caspase-3 in complex with Ac-ATS009-KE
分子名称: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
3DCN
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Glomerella cingulata apo cutinase
分子名称: Cutinase
著者Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J.
登録日2008-06-04
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
3DEA
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Glomerella cingulata PETFP-cutinase complex
分子名称: 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one, Cutinase
著者Nyon, M.P, Rice, D.W, Berrisford, J.M, Hounslow, A.M, Moir, A.J.G, Huang, H, Nathan, S, Mahadi, N.M, Farah Diba, A.B, Craven, C.J.
登録日2008-06-09
公開日2008-11-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalysis by Glomerella cingulata Cutinase Requires Conformational Cycling between the Active and Inactive States of Its Catalytic Triad
J.Mol.Biol., 385, 2009
4RKX
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Identification and characterization of a small molecule inhibitor of S. pyogenes SpeB.
分子名称: NITRATE ION, Streptopain, benzyl (cyanomethyl)carbamate
著者Wang, A.Y, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2014-10-14
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Identification and Co-complex Structure of a New S. pyogenes SpeB Small Molecule Inhibitor.
Biochemistry, 54, 2015
3FYM
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The 1A structure of YmfM, a putative DNA-binding membrane protein from Staphylococcus aureus
分子名称: Putative uncharacterized protein, ZINC ION
著者Xu, L, Sedelnikova, S.E, Baker, P.J, Rice, D.W.
登録日2009-01-22
公開日2010-02-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The 1A structure of YmfM, a putative DNA-binding membrane protein from Staphylococcus aureus
To be Published
3FZ0
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Inosine-Guanosine Nucleoside Hydrolase (IG-NH)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Nucleoside hydrolase, ...
著者Vandemeulebroucke, A, Minici, C, Bruno, I, Muzzolini, L, Tornaghi, P, Parkin, D.W, Schramm, V.L, Versees, W, Steyaert, J, Degano, M.
登録日2009-01-23
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and mechanism of the 6-oxopurine nucleosidase from Trypanosoma brucei brucei
Biochemistry, 49, 2010
4RN1
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Crystal structure of S39D HDAC8 in complex with a largazole analogue.
分子名称: (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Christianson, D.W.
登録日2014-10-22
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
6CL2
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Caspase-7 in complex with Ac-ATS009-KE
分子名称: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-7 subunit p11, Caspase-7 subunit p20
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2020-09-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
3FIB
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BU of 3fib by Molmil
RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) BOUND TO CALCIUM AT PH 6.0: A FURTHER REFINEMENT OF PDB ENTRY 1FIB, AND DIFFERS FROM 1FIB BY THE MODELLING OF A CIS PEPTIDE BOND BETWEEN RESIDUES K338 AND C339
分子名称: CALCIUM ION, FIBRINOGEN GAMMA CHAIN RESIDUES
著者Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W.
登録日1997-07-14
公開日1997-09-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The primary fibrin polymerization pocket: three-dimensional structure of a 30-kDa C-terminal gamma chain fragment complexed with the peptide Gly-Pro-Arg-Pro.
Proc.Natl.Acad.Sci.USA, 94, 1997
4RN0
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Crystal structure of S39D HDAC8 in complex with a largazole analogue.
分子名称: (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Christianson, D.W.
登録日2014-10-22
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
6CKZ
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Human caspase-3 in complex with Ac-DW3-KE
分子名称: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6CSQ
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BU of 6csq by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclohexylhydroxamate
分子名称: Hdac6 protein, N-hydroxycyclohexanecarboxamide, POTASSIUM ION, ...
著者Porter, N.J, Christianson, D.W.
登録日2018-03-21
公開日2018-05-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.031 Å)
主引用文献Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6.
Biochemistry, 57, 2018
4RVE
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BU of 4rve by Molmil
THE CRYSTAL STRUCTURE OF ECORV ENDONUCLEASE AND OF ITS COMPLEXES WITH COGNATE AND NON-COGNATE DNA SEGMENTS
分子名称: DNA (5'-D(*GP*GP*GP*AP*TP*AP*TP*CP*CP*C)-3'), PROTEIN (ECO RV (E.C.3.1.21.4))
著者Winkler, F.K, Banner, D.W, Oefner, C, Tsernoglou, D, Brown, R.S, Heathman, S.P, Bryan, R.K, Martin, P.D, Petratos, K, Wilso, K.S.
登録日1993-02-18
公開日1993-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The crystal structure of EcoRV endonuclease and of its complexes with cognate and non-cognate DNA fragments.
EMBO J., 12, 1993
3BUV
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BU of 3buv by Molmil
Crystal structure of human Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and HEPES. Resolution: 1.35 A.
分子名称: 3-oxo-5-beta-steroid 4-dehydrogenase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W.
登録日2008-01-03
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
4DBU
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BU of 4dbu by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid
分子名称: 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M.
登録日2012-01-16
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.528 Å)
主引用文献Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
6C54
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Ebola nucleoprotein nucleocapsid-like assembly and the asymmetric unit
分子名称: Nucleoprotein
著者Su, Z, Wu, C, Pintilie, G.D, Chiu, W, Amarasinghe, G.K, Leung, D.W.
登録日2018-01-13
公開日2018-03-07
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献Electron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly.
Cell, 172, 2018
3FI7
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Crystal Structure of the autolysin Auto (Lmo1076) from Listeria monocytogenes, catalytic domain
分子名称: Lmo1076 protein, SULFATE ION
著者Bublitz, M, Polle, L, Holland, C, Nimtz, M, Heinz, D.W, Schubert, W.D.
登録日2008-12-11
公開日2009-04-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for autoinhibition and activation of Auto, a virulence-associated peptidoglycan hydrolase of Listeria monocytogenes.
Mol.Microbiol., 71, 2009
6CA2
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BU of 6ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Alexander, R.S, Christianson, D.W.
登録日1991-07-09
公開日1992-07-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
4DPP
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BU of 4dpp by Molmil
The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana
分子名称: Dihydrodipicolinate synthase 2, chloroplastic, SODIUM ION
著者Griffin, M.D.W, Billakanti, J.M, Gerrard, J.A, Dobson, R.C.J, Pearce, F.G.
登録日2012-02-14
公開日2012-07-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterisation of the first enzymes committed to lysine biosynthesis in Arabidopsis thaliana
Plos One, 7, 2012
7U6B
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indolethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
分子名称: (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2022-03-03
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
4RKO
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Crystal structure of thrombin mutant S195T bound with PPACK
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E.
登録日2014-10-13
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
6AX9
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F95N Epi-isozizaene synthase
分子名称: Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
著者Blank, P.N, Barrow, G.H, Christianson, D.W.
登録日2017-09-06
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes.
Biochemistry, 56, 2017
3FKE
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Structure of the Ebola VP35 Interferon Inhibitory Domain
分子名称: Polymerase cofactor VP35
著者Amarasinghe, G.K, Leung, D.W, Ginder, N.D, Honzatko, R.B, Nix, J, Basler, C.F, Fulton, D.B.
登録日2008-12-16
公開日2009-01-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the Ebola VP35 interferon inhibitory domain.
Proc.Natl.Acad.Sci.USA, 106, 2009

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