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6B74
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Structures of the two-chain human plasma Factor XIIa co-crystallized with potent inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, Coagulation factor XII, ...
著者Dementiev, A.A, Partridge, J.R.
登録日2017-10-03
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.323 Å)
主引用文献Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018
6JBP
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BU of 6jbp by Molmil
Structure of MP-4 from Mucuna pruriens at 2.22 Angstroms
分子名称: Kunitz-type trypsin inhibitor-like 2 protein
著者Jain, A, Shikhi, M, Kumar, A, Kumar, A, Nair, D.T, Salunke, D.M.
登録日2019-01-26
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.217 Å)
主引用文献The structure of MP-4 from Mucuna pruriens at 2.22 angstrom resolution.
Acta Crystallogr.,Sect.F, 76, 2020
4E1R
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BU of 4e1r by Molmil
Crystal structure of the dimerization domain of Lsr2 from Mycobacterium tuberculosis in the P 31 2 1 space group
分子名称: Protein lsr2
著者Summers, E.L, Meindl, K, Uson, I, Arcus, V.L.
登録日2012-03-06
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.041 Å)
主引用文献The structure of the oligomerization domain of Lsr2 from Mycobacterium tuberculosis reveals a mechanism for chromosome organization and protection.
Plos One, 7, 2012
5HMA
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BU of 5hma by Molmil
Crystal structure of MamO protease domain from Magnetospirillum magneticum (Ni bound form)
分子名称: CHLORIDE ION, NICKEL (II) ION, Trypsin-like serine protease, ...
著者Hershey, D.M, Ren, X, Hurley, J.H, Komeili, A.
登録日2016-01-15
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献MamO Is a Repurposed Serine Protease that Promotes Magnetite Biomineralization through Direct Transition Metal Binding in Magnetotactic Bacteria.
Plos Biol., 14, 2016
5MT0
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BU of 5mt0 by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE INDOLE CARBOXYLIC ACID BASED INHIBITOR
分子名称: 5-fluoranyl-3-[[(1~{S},2~{S})-2-phenylcyclopropyl]carbonylamino]-1~{H}-indole-2-carboxylic acid, Complement factor D, SULFATE ION
著者Mac Sweeney, A, Ostermann, N.
登録日2017-01-06
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60, 2017
5MT4
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BU of 5mt4 by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE BENZOIC ACID BASED INHIBITOR
分子名称: 2-[(phenylmethyl)carbamoylamino]benzoic acid, Complement factor D
著者Mac Sweeney, A, Ostermann, N.
登録日2017-01-06
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60, 2017
4JYT
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BU of 4jyt by Molmil
Crystal Structure of Matriptase in complex with Inhibitor
分子名称: 4,4'-[{3-[(naphthalen-2-ylsulfonyl)amino]pyridine-2,6-diyl}bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein
著者Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
登録日2013-04-01
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
4JZI
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BU of 4jzi by Molmil
Crystal Structure of Matriptase in complex with Inhibitor".
分子名称: N-(trans-4-aminocyclohexyl)-2,6-bis(4-carbamimidoylphenoxy)pyridine-4-carboxamide, Suppressor of tumorigenicity 14 protein
著者Subramanya, H.S, Chandra, R.B, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
登録日2013-04-03
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
4JZ1
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BU of 4jz1 by Molmil
Crystal Structure of Matriptase in complex with Inhibitor
分子名称: 4,4'-[(3-{[(4-fluorophenyl)sulfonyl]amino}pyridine-2,6-diyl)bis(oxy)]dibenzenecarboximidamide, Suppressor of tumorigenicity 14 protein
著者Subramanya, H.S, Ravi, B.C, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S.
登録日2013-04-02
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors
ACS MED.CHEM.LETT., 4, 2013
6R2W
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BU of 6r2w by Molmil
Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor
分子名称: CALCIUM ION, Coagulation factor VII, N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ...
著者Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
登録日2019-03-19
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa.
J.Biol.Chem., 295, 2020
3EST
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BU of 3est by Molmil
STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, PORCINE PANCREATIC ELASTASE, SULFATE ION
著者Meyer, E.F, Cole, G, Radhakrishnan, R, Epp, O.
登録日1987-09-17
公開日1988-01-16
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of native porcine pancreatic elastase at 1.65 A resolutions.
Acta Crystallogr.,Sect.B, 44, 1988
1AUT
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BU of 1aut by Molmil
Human activated protein C
分子名称: ACTIVATED PROTEIN C, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
著者Mather, T, Oganessyan, V, Hof, P, Bode, W, Huber, R, Foundling, S, Esmon, C.
登録日1996-06-08
公開日1997-08-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The 2.8 A crystal structure of Gla-domainless activated protein C.
EMBO J., 15, 1996
8BP8
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BU of 8bp8 by Molmil
SPA of Trypsin untreated Rotavirus TLP spike
分子名称: CALCIUM ION, Inner capsid protein VP2, Intermediate capsid protein VP6, ...
著者Shah, P.N.M, Stuart, D.I.
登録日2022-11-16
公開日2023-04-05
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
6TH7
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BU of 6th7 by Molmil
Structure of porcine pancreatic elastase in complex with tutuilamide
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, Tutuilamide
著者Koehnke, J, Sikandar, A.
登録日2019-11-18
公開日2020-03-04
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Tutuilamides A-C: Vinyl-Chloride-Containing Cyclodepsipeptides from Marine Cyanobacteria with Potent Elastase Inhibitory Properties.
Acs Chem.Biol., 15, 2020
3K2U
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BU of 3k2u by Molmil
Crystal structure of HGFA in complex with the allosteric inhibitory antibody Fab40
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody, Fab fragment, ...
著者Ganesan, R, Eigenbrot, C, Shia, S.
登録日2009-09-30
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Unraveling the allosteric mechanism of serine protease inhibition by an antibody.
Structure, 17, 2009
5DZU
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BU of 5dzu by Molmil
Structure of potato cathepsin D inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Aspartic protease inhibitor 11, ...
著者Guo, J, Erskine, P, Coker, A.R, Wood, S.P, Cooper, J.B.
登録日2015-09-26
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure of a Kunitz-type potato cathepsin D inhibitor.
J.Struct.Biol., 192, 2015
2F9N
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BU of 2f9n by Molmil
Crystal Structure of the Recombinant Human Alpha I Tryptase Mutant K192Q/D216G in Complex with Leupeptin
分子名称: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Leupeptin, ...
著者Rohr, K.B, Selwood, T, Marquardt, U, Huber, R, Schechter, N.M, Bode, W, Than, M.E.
登録日2005-12-06
公開日2006-01-31
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 Structures of Free and Leupeptin-complexed Human alpha I-Tryptase Mutants: Indication for an alpha to beta-Tryptase Transition
J.Mol.Biol., 357, 2005
2F9P
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BU of 2f9p by Molmil
Crystal Structure of the Recombinant Human Alpha I Tryptase Mutant D216G in Complex with Leupeptin
分子名称: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Leupeptin, ...
著者Rohr, K.B, Selwood, T, Marquardt, U, Huber, R, Schechter, N.M, Bode, W, Than, M.E.
登録日2005-12-06
公開日2006-01-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray Structures of Free and Leupeptin-complexed Human alpha I-Tryptase Mutants: Indication for an alpha to beta-Tryptase Transition
J.Mol.Biol., 357, 2005
4ISL
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BU of 4isl by Molmil
Crystal Structure of the inactive Matriptase in complex with its inhibitor HAI-1
分子名称: GLUTATHIONE, GLYCEROL, Kunitz-type protease inhibitor 1, ...
著者Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
登録日2013-01-16
公開日2013-03-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
1AHT
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BU of 1aht by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND P-AMIDINOPHENYLPYRUVATE AT 1.6 ANGSTROMS RESOLUTION
分子名称: (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
著者Chen, Z.
登録日1995-03-17
公開日1996-03-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of human alpha-thrombin complexed with hirugen and p-amidinophenylpyruvate at 1.6 A resolution.
Arch.Biochem.Biophys., 322, 1995
4KGA
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BU of 4kga by Molmil
Crystal structure of kallikrein-related peptidase 4
分子名称: 1,2-ETHANEDIOL, Kallikrein-4, NICKEL (II) ION
著者Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
登録日2013-04-29
公開日2014-04-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
2J95
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BU of 2j95 by Molmil
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
分子名称: 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ...
著者Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P.
登録日2006-11-02
公開日2007-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
4LOY
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BU of 4loy by Molmil
Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-2, ...
著者Stehlin-Gaon, C, Bocskei, Z.
登録日2013-07-14
公開日2014-06-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
2F9O
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BU of 2f9o by Molmil
Crystal Structure of the Recombinant Human Alpha I Tryptase Mutant D216G
分子名称: Tryptase alpha-1, alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Rohr, K.B, Selwood, T, Marquardt, U, Huber, R, Schechter, N.M, Bode, W, Than, M.E.
登録日2005-12-06
公開日2006-01-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray Structures of Free and Leupeptin-complexed Human alpha I-Tryptase Mutants: Indication for an alpha to beta-Tryptase Transition
J.Mol.Biol., 357, 2005
4LXB
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Crystal Structure Analysis of thrombin in complex with compound D58
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-1, ...
著者Stehlin-Gaon, C, Bocskei, Z.
登録日2013-07-29
公開日2014-06-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013

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