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5PZL
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BU of 5pzl by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-({3-[1-(2-CYCLOPROPYLETHYL)-6-FLUORO-4-HYDROXY-2-OXO-1,2-DIHYDROQUINOLIN-3-YL]-1,1-DIOXO-1,4-DIHYDRO-1LAMBDA~6~,2,4-BENZOTHIADIAZIN-7-YL}OXY)ACETAMIDE
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-({3-[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase, ...
著者Sheriff, S.
登録日2017-02-27
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
5PZK
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BU of 5pzk by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-6-[(METHYLSULFONYL)AMINO]-5-(PROPAN-2-YLOXY)-1-BENZOFURAN-3-CARBOXAMIDE
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, GLYCEROL, ...
著者Sheriff, S.
登録日2017-02-27
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
2FXD
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BU of 2fxd by Molmil
X-ray crystal structure of HIV-1 protease IRM mutant complexed with atazanavir (BMS-232632)
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Klei, H.E, Sheriff, S.
登録日2006-02-04
公開日2007-02-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir.
J.Virol., 81, 2007
1RSM
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BU of 1rsm by Molmil
THE 2-ANGSTROMS RESOLUTION STRUCTURE OF A THERMOSTABLE RIBONUCLEASE A CHEMICALLY CROSS-LINKED BETWEEN LYSINE RESIDUES 7 AND 41
分子名称: DINITROPHENYLENE, RIBONUCLEASE A
著者Weber, P.C, Sheriff, S, Ohlendorf, D.H, Finzel, B.C, Salemme, F.R.
登録日1985-08-27
公開日1986-01-21
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The 2-A resolution structure of a thermostable ribonuclease A chemically cross-linked between lysine residues 7 and 41.
Proc.Natl.Acad.Sci.USA, 82, 1985
1IBG
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BU of 1ibg by Molmil
STRUCTURE AND SPECIFICITY OF THE ANTI-DIGOXIN ANTIBODY 40-50
分子名称: COPPER (II) ION, IGG2B-KAPPA 40-50 FAB (HEAVY CHAIN), IGG2B-KAPPA 40-50 FAB (LIGHT CHAIN), ...
著者Jeffrey, P.D, Sheriff, S.
登録日1994-10-25
公開日1995-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and Specificity of the Anti-Digoxin Antibody 40-50
J.Mol.Biol., 248, 1995
1DKK
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BU of 1dkk by Molmil
BOBWHITE QUAIL LYSOZYME WITH NITRATE
分子名称: LYSOZYME, NITRATE ION
著者Jeffrey, P.D, Sheriff, S.
登録日1996-01-10
公開日1996-07-11
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment.
Proteins, 26, 1996
1DKJ
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BU of 1dkj by Molmil
BOBWHITE QUAIL LYSOZYME
分子名称: LYSOZYME
著者Jeffrey, P.D, Sheriff, S.
登録日1996-01-10
公開日1996-07-11
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment.
Proteins, 26, 1996
1IGI
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BU of 1igi by Molmil
26-10 FAB:DIGOXIN COMPLEX-AFFINITY AND SPECIFICITY DUE TO SURFACE COMPLEMENTARITY
分子名称: IGG2A-KAPPA 26-10 FAB (HEAVY CHAIN), IGG2A-KAPPA 26-10 FAB (LIGHT CHAIN)
著者Jeffrey, P.D, Sheriff, S.
登録日1993-02-19
公開日1993-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献26-10 Fab-digoxin complex: affinity and specificity due to surface complementarity.
Proc.Natl.Acad.Sci.USA, 90, 1993
1IGJ
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BU of 1igj by Molmil
26-10 FAB:DIGOXIN COMPLEX-AFFINITY AND SPECIFICITY DUE TO SURFACE COMPLEMENTARITY
分子名称: DIGOXIN, IGG2A-KAPPA 26-10 FAB (HEAVY CHAIN), IGG2A-KAPPA 26-10 FAB (LIGHT CHAIN)
著者Jeffrey, P.D, Sheriff, S.
登録日1993-02-19
公開日1993-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献26-10 Fab-digoxin complex: affinity and specificity due to surface complementarity.
Proc.Natl.Acad.Sci.USA, 90, 1993
3QWR
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BU of 3qwr by Molmil
Crystal structure of IL-23 in complex with an adnectin
分子名称: ADNECTIN, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ...
著者Wei, A, Sheriff, S.
登録日2011-02-28
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
1MAK
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BU of 1mak by Molmil
SOLUTION STRUCTURE OF AN ISOLATED ANTIBODY VL DOMAIN
分子名称: IGG2A-KAPPA 26-10 FV (LIGHT CHAIN)
著者Constantine, K.L, Friedrichs, M.S, Metzler, W.J, Wittekind, M, Hensley, P, Mueller, L.
登録日1993-09-16
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Solution structure of an isolated antibody VL domain.
J.Mol.Biol., 236, 1994
3HFM
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BU of 3hfm by Molmil
STRUCTURE OF AN ANTIBODY-ANTIGEN COMPLEX. CRYSTAL STRUCTURE OF THE HY/HEL-10 FAB-LYSOZYME COMPLEX
分子名称: HEN EGG WHITE LYSOZYME, HYHEL-10 IGG1 FAB (HEAVY CHAIN), HYHEL-10 IGG1 FAB (LIGHT CHAIN)
著者Padlan, E.A, Davies, D.R.
登録日1988-08-11
公開日1989-07-12
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of an antibody-antigen complex: crystal structure of the HyHEL-10 Fab-lysozyme complex.
Proc.Natl.Acad.Sci.USA, 86, 1989
1HCV
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BU of 1hcv by Molmil
LLAMA HEAVY CHAIN VARIABLE DOMAIN AGAINST ALPHA SUBUNIT OF HCG (HUMAN CHORIONIC GONADOTROPIN)
分子名称: IMMUNOGLOBULIN G
著者Spinelli, S, Cambillau, C, Tegoni, M.
登録日1996-07-13
公開日1997-07-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The crystal structure of a llama heavy chain variable domain.
Nat.Struct.Biol., 3, 1996
4X6M
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BU of 4x6m by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea
分子名称: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea, Coagulation factor XI, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6N
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BU of 4x6n by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
分子名称: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
著者Wei, A.
登録日2014-12-08
公開日2015-02-18
最終更新日2015-04-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4Y8Y
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BU of 4y8y by Molmil
Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
著者Wei, A.
登録日2015-02-16
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
1BQL
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BU of 1bql by Molmil
STRUCTURE OF AN ANTI-HEL FAB FRAGMENT COMPLEXED WITH BOBWHITE QUAIL LYSOZYME
分子名称: BOBWHITE QUAIL LYSOZYME, HYHEL-5 FAB (HEAVY CHAIN), HYHEL-5 FAB (LIGHT CHAIN)
著者Chacko, S, Davies, D.R.
登録日1995-02-03
公開日1995-04-20
最終更新日2017-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment.
Proteins, 26, 1996
2IFF
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BU of 2iff by Molmil
STRUCTURE OF AN ANTIBODY-LYSOZYME COMPLEX: EFFECT OF A CONSERVATIVE MUTATION
分子名称: HEN EGG WHITE LYSOZYME, IGG1 HYHEL-5 FAB (HEAVY CHAIN), IGG1 HYHEL-5 FAB (LIGHT CHAIN)
著者Chacko, S, Davies, D.R.
登録日1994-02-03
公開日1994-05-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of an antibody-lysozyme complex unexpected effect of conservative mutation.
J.Mol.Biol., 245, 1995
4JZE
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BU of 4jze by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
4JZD
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BU of 4jzd by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Jacobson, B.L, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
4JZF
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BU of 4jzf by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
分子名称: 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-04-02
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
3FFG
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BU of 3ffg by Molmil
Factor XA in complex with the inhibitor (R)-6-(2'-((3- HYDROXYPYRROLIDIN-1-YL)METHYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN- 7(4H)-ONE
分子名称: (R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one, Coagulation factor X, heavy chain, ...
著者Alexander, R.A.
登録日2008-12-03
公開日2009-12-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Phenyltriazolinones as potent factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5EXL
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide
分子名称: 1,2-ETHANEDIOL, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, ...
著者Wei, A.
登録日2015-11-23
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
5EXM
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, SULFATE ION, ...
著者Wei, A.
登録日2015-11-23
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016

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