Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 1599 件
1DWB
DownloadVisualize
BU of 1dwb by Molmil
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BENZAMIDINE, ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWD
DownloadVisualize
BU of 1dwd by Molmil
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
分子名称: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWE
DownloadVisualize
BU of 1dwe by Molmil
Crystallographic analysis at 3.0-Angstroms resolution of the binding to human thrombin of four active site-directed inhibitors
分子名称: ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWC
DownloadVisualize
BU of 1dwc by Molmil
CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIA, ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
3PR2
DownloadVisualize
BU of 3pr2 by Molmil
Tryptophan synthase indoline quinonoid structure with F9 inhibitor in alpha site
分子名称: (Z)-N-[(1E)-1-carboxy-2-(2,3-dihydro-1H-indol-1-yl)ethylidene]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methanaminium, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
著者Lai, J, Niks, D, Wang, Y, Domratcheva, T, Barends, T.R.M, Schwarz, F, Olsen, R.A, Elliott, D.W, Fatmi, M.Q, Chang, C.A, Schlichting, I, Dunn, M.F, Mueller, L.J.
登録日2010-11-29
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray and NMR Crystallography in an Enzyme Active Site: The Indoline Quinonoid Intermediate in Tryptophan Synthase.
J.Am.Chem.Soc., 133, 2011
3PYB
DownloadVisualize
BU of 3pyb by Molmil
Crystal structure of ent-copalyl diphosphate synthase from Arabidopsis thaliana in complex with 13-aza-13,14-dihydrocopalyl diphosphate
分子名称: 2-(methyl{2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}amino)ethyl trihydrogen diphosphate, Ent-copalyl diphosphate synthase, chloroplastic, ...
著者Koksal, M, Christianson, D.W.
登録日2010-12-12
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.759 Å)
主引用文献Structure of ent-Copalyl Diphosphate Synthase from Arabidopsis thaliana, a Protonation-Dependent Diterpene Cyclase
To be Published
3P1J
DownloadVisualize
BU of 3p1j by Molmil
Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state
分子名称: GTPase IMAP family member 2, UNKNOWN ATOM OR ION
著者Shen, L, Tempel, W, Tong, Y, Guan, X, Nedyalkova, L, Wernimont, A.K, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC)
登録日2010-09-30
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state
to be published
3P5R
DownloadVisualize
BU of 3p5r by Molmil
Crystal Structure of Taxadiene Synthase from Pacific Yew (Taxus brevifolia) in complex with Mg2+ and 2-fluorogeranylgeranyl diphosphate
分子名称: (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, Taxadiene synthase
著者Koksal, M, Christianson, D.W.
登録日2010-10-10
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献Taxadiene synthase structure and evolution of modular architecture in terpene biosynthesis.
Nature, 469, 2011
3OM2
DownloadVisualize
BU of 3om2 by Molmil
Crystal structure of B. megaterium levansucrase mutant D257A
分子名称: CALCIUM ION, CITRIC ACID, Levansucrase, ...
著者Strube, C.P, Homann, A, Gamer, M, Jahn, D, Seibel, J, Heinz, D.W.
登録日2010-08-26
公開日2011-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Polysaccharide Synthesis of the Levansucrase SacB from Bacillus megaterium Is Controlled by Distinct Surface Motifs.
J.Biol.Chem., 286, 2011
104L
DownloadVisualize
BU of 104l by Molmil
HOW AMINO-ACID INSERTIONS ARE ALLOWED IN AN ALPHA-HELIX OF T4 LYSOZYME
分子名称: T4 LYSOZYME
著者Heinz, D.W, Matthews, B.W.
登録日1992-09-29
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献How amino-acid insertions are allowed in an alpha-helix of T4 lysozyme.
Nature, 361, 1993
103L
DownloadVisualize
BU of 103l by Molmil
HOW AMINO-ACID INSERTIONS ARE ALLOWED IN AN ALPHA-HELIX OF T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Heinz, D.W, Matthews, B.W.
登録日1992-09-29
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How amino-acid insertions are allowed in an alpha-helix of T4 lysozyme.
Nature, 361, 1993
1A42
DownloadVisualize
BU of 1a42 by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE
分子名称: (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Christianson, D.W.
登録日1998-02-10
公開日1999-03-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
1CR6
DownloadVisualize
BU of 1cr6 by Molmil
CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CPU INHIBITOR
分子名称: EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-(PROPYL)PHENYL UREA
著者Argiriadi, M.A, Morisseau, C, Hammock, B.D, Christianson, D.W.
登録日1999-08-13
公開日1999-11-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase.
Proc.Natl.Acad.Sci.USA, 96, 1999
1CVC
DownloadVisualize
BU of 1cvc by Molmil
REDESIGNING THE ZINC BINDING SITE OF HUMAN CARBONIC ANHYDRASE II: STRUCTURE OF A HIS2ASP-ZN2+ METAL COORDINATION POLYHEDRON
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Ippolito, J.A, Christianson, D.W.
登録日1993-09-22
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献REDESIGNING THE ZINC-BINDING SITE OF HUMAN CARBONIC ANHYDRASE-II - STRUCTURE OF A HIS2ASP-ZN2+ METAL COORDINATION POLYHEDRON.
J.Am.Chem.Soc., 115, 1993
1CIN
DownloadVisualize
BU of 1cin by Molmil
THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS
分子名称: (4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ...
著者Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N.
登録日1993-10-20
公開日1994-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors.
Protein Sci., 3, 1994
3Q9E
DownloadVisualize
BU of 3q9e by Molmil
Crystal structure of H159A APAH complexed with acetylspermine
分子名称: Acetylpolyamine amidohydrolase, N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide, POTASSIUM ION, ...
著者Lombardi, P.M, Christianson, D.W.
登録日2011-01-07
公開日2011-03-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of prokaryotic polyamine deacetylase reveals evolutionary functional relationships with eukaryotic histone deacetylases .
Biochemistry, 50, 2011
3Q9B
DownloadVisualize
BU of 3q9b by Molmil
Crystal Structure of APAH complexed with M344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Acetylpolyamine amidohydrolase, DIMETHYL SULFOXIDE, ...
著者Lombardi, P.M, Christianson, D.W.
登録日2011-01-07
公開日2011-03-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of prokaryotic polyamine deacetylase reveals evolutionary functional relationships with eukaryotic histone deacetylases .
Biochemistry, 50, 2011
1CNY
DownloadVisualize
BU of 1cny by Molmil
SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE, ...
著者Boriack, P.A, Christianson, D.W.
登録日1995-07-21
公開日1995-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants.
J.Med.Chem., 38, 1995
7PTD
DownloadVisualize
BU of 7ptd by Molmil
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C MUTANT R163K
分子名称: PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C
著者Heinz, D.W.
登録日1997-07-18
公開日1998-01-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Probing the roles of active site residues in phosphatidylinositol-specific phospholipase C from Bacillus cereus by site-directed mutagenesis.
Biochemistry, 36, 1997
7RLS
DownloadVisualize
BU of 7rls by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-68
分子名称: 3C-like proteinase, 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-26
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RNK
DownloadVisualize
BU of 7rnk by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-71
分子名称: 3C-like proteinase, 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-29
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RM2
DownloadVisualize
BU of 7rm2 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule-CSR-494190-S1
分子名称: 3C-like proteinase, 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-26
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RME
DownloadVisualize
BU of 7rme by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-52
分子名称: 3C-like proteinase, 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-27
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RMB
DownloadVisualize
BU of 7rmb by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-78
分子名称: 3C-like proteinase, 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-27
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RN4
DownloadVisualize
BU of 7rn4 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-69
分子名称: 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-29
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021

224201

件を2024-08-28に公開中

PDB statisticsPDBj update infoContact PDBjnumon