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4FH0
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BU of 4fh0 by Molmil
Crystal Structure of Human BinCARD CARD, double mutant F16M/L66M SeMet form
分子名称: Bcl10-interacting CARD protein, SULFATE ION
著者Chen, K.-E, Kobe, B, Martin, J.L.
登録日2012-06-05
公開日2013-02-06
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The structure of the caspase recruitment domain of BinCARD reveals that all three cysteines can be oxidized.
Acta Crystallogr.,Sect.D, 69, 2013
4V3A
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BU of 4v3a by Molmil
Membrane bound pleurotolysin prepore (TMH1 lock) trapped with engineered disulphide cross-link
分子名称: PLEUROTOLYSIN A, PLEUROTOLYSIN B
著者Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, CaradocDavies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R.
登録日2014-10-17
公開日2015-02-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015
3DA8
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BU of 3da8 by Molmil
Crystal structure of PurN from Mycobacterium tuberculosis
分子名称: BETA-MERCAPTOETHANOL, IODIDE ION, MAGNESIUM ION, ...
著者Zhang, Z, Squire, C.J, Baker, E.N.
登録日2008-05-28
公開日2009-05-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery.
J.Mol.Biol., 389, 2009
3DCJ
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BU of 3dcj by Molmil
Crystal structure of glycinamide formyltransferase (PurN) from Mycobacterium tuberculosis in complex with 5-methyl-5,6,7,8-tetrahydrofolic acid derivative
分子名称: CHLORIDE ION, MAGNESIUM ION, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ...
著者Zhang, Z, Squire, C.J, Baker, E.N.
登録日2008-06-03
公開日2009-05-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery.
J.Mol.Biol., 389, 2009
3KQZ
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BU of 3kqz by Molmil
Structure of a protease 2
分子名称: CARBONATE ION, M17 leucyl aminopeptidase, NONAETHYLENE GLYCOL, ...
著者McGowan, S, Whisstock, J.C.
登録日2009-11-17
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases
Proc.Natl.Acad.Sci.USA, 107, 2010
3KQX
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BU of 3kqx by Molmil
Structure of a protease 1
分子名称: CARBONATE ION, M17 leucyl aminopeptidase, NONAETHYLENE GLYCOL, ...
著者McGowan, S, Whisstock, J.C.
登録日2009-11-17
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases
Proc.Natl.Acad.Sci.USA, 107, 2010
3KR4
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BU of 3kr4 by Molmil
Structure of a protease 3
分子名称: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, CARBONATE ION, M17 leucyl aminopeptidase, ...
著者McGowan, S, Whisstock, J.C.
登録日2009-11-17
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases
Proc.Natl.Acad.Sci.USA, 107, 2010
3KR5
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BU of 3kr5 by Molmil
Structure of a protease 4
分子名称: (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid, CARBONATE ION, M17 leucyl aminopeptidase, ...
著者McGowan, S, Whisstock, J.C.
登録日2009-11-17
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structure of the Plasmodium falciparum M17 aminopeptidase and significance for the design of drugs targeting the neutral exopeptidases
Proc.Natl.Acad.Sci.USA, 107, 2010
8EB9
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BU of 8eb9 by Molmil
Crystal structure of SIX8 from Fusarium oxysporum f. sp. lycopersici
分子名称: SULFATE ION, Secreted in xylem Six8
著者Yu, D.S, Ericsson, D.J, Williams, S.J.
登録日2022-08-30
公開日2023-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
8EBB
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BU of 8ebb by Molmil
Crystal structure of SIX6 from Fusarium oxysporum f. sp. lycopersici
分子名称: D(-)-TARTARIC ACID, Secreted in xylem Six6
著者Yu, D.S, Ericsson, D.J, Williams, S.J.
登録日2022-08-30
公開日2023-06-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
4ABF
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BU of 4abf by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4ABB
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BU of 4abb by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AB8
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BU of 4ab8 by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4ABD
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BU of 4abd by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4ABE
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BU of 4abe by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: (3-PYRAZOL-1-YLPHENYL)METHANAMINE, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4ABG
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BU of 4abg by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4ABA
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BU of 4aba by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4ABH
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BU of 4abh by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4AB9
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BU of 4ab9 by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
5UGG
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BU of 5ugg by Molmil
Protease Inhibitor
分子名称: Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide, Plasminogen
著者Law, R.H.P, Wu, G, Whisstock, J.C.
登録日2017-01-08
公開日2017-05-31
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017
5UGD
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BU of 5ugd by Molmil
Protease Inhibitor
分子名称: Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide, Plasminogen
著者Law, R.H.P, Wu, G, Whisstock, J.C.
登録日2017-01-08
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017
4DWN
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BU of 4dwn by Molmil
Crystal Structure of Human BinCARD CARD
分子名称: Bcl10-interacting CARD protein, SULFATE ION
著者Chen, K.-E, Kobe, B, Martin, J.L.
登録日2012-02-26
公開日2013-02-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献The structure of the caspase recruitment domain of BinCARD reveals that all three cysteines can be oxidized.
Acta Crystallogr.,Sect.D, 69, 2013
6NMB
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BU of 6nmb by Molmil
Tranexamic Acid is an Active Site Inhibitor of Urokinase Plasminogen Activator
分子名称: NITRATE ION, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID, Urokinase-type plasminogen activator
著者Law, R.H.P, Wu, G.
登録日2019-01-10
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tranexamic acid is an active site inhibitor of urokinase plasminogen activator.
Blood Adv, 3, 2019
6D3Z
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BU of 6d3z by Molmil
Protease SFTI complex
分子名称: Plasminogen, Trypsin inhibitor 1
著者Law, R.H.P, Wu, G.
登録日2018-04-17
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma.
J. Med. Chem., 62, 2019
6DLW
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BU of 6dlw by Molmil
Complement component polyC9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement component C9, beta-D-mannopyranose
著者Dunstone, M.A, Spicer, B.A, Law, R.H.P.
登録日2018-06-03
公開日2018-09-12
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献The first transmembrane region of complement component-9 acts as a brake on its self-assembly.
Nat Commun, 9, 2018

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