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PDB: 1303 件
1OWD
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Substituted 2-Naphthamidine inhibitors of urokinase
分子名称: 6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWH
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Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWE
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BU of 1owe by Molmil
Substituted 2-Naphthamidine inhibitors of urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWI
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Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWK
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BU of 1owk by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
1OWJ
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Substituted 2-Naphthamidine Inhibitors of Urokinase
分子名称: 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
著者Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
登録日2003-03-28
公開日2003-09-30
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
4W9B
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Crystal structure of Gamma-B Crystallin expressed in E. coli based on mRNA variant 1
分子名称: Gamma-crystallin B
著者Kudlinzki, D, Buhr, F, Linhard, V.L, Jha, S, Komar, A.A, Schwalbe, H.
登録日2014-08-27
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.279 Å)
主引用文献Two synonymous gene variants encode proteins with identical sequence, but different folding conformations.
To Be Published
4OWC
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PtI6 binding to HEWL
分子名称: CHLORIDE ION, IODIDE ION, Lysozyme C, ...
著者Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R.
登録日2014-01-31
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15.
Acta Crystallogr.,Sect.F, 70, 2014
6DS9
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BU of 6ds9 by Molmil
Elongated version of a de novo designed three helix bundle structure (GRa3D)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, THIOCYANATE ION, ...
著者Koebke, K.J, Ruckthong, L.R, Meagher, J.L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-06-13
公開日2018-10-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Clarifying the Copper Coordination Environment in a de Novo Designed Red Copper Protein.
Inorg Chem, 57, 2018
2YAL
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BU of 2yal by Molmil
SinR, Master Regulator of biofilm formation in Bacillus subtilis
分子名称: HTH-TYPE TRANSCRIPTIONAL REGULATOR SINR, NICKEL (II) ION
著者Colledge, V.L, Fogg, M.J, Levdikov, V.M, Leech, A, Dodson, E.J, Wilkinson, A.J.
登録日2011-02-23
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure and Organisation of Sinr, the Master Regulator of Biofilm Formation in Bacillus Subtilis.
J.Mol.Biol., 411, 2011
8EWH
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BU of 8ewh by Molmil
Salmonella typhimurium GTPase BIPA
分子名称: 50S ribosomal subunit assembly factor BipA, SODIUM ION
著者Brown, R.S, deLivron, M.A, Robinson, V.L.
登録日2022-10-23
公開日2022-11-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Crystallographic and Biochemical Characterization of the GTPase and Ribosome Binding Properties of Salmonella typhimuirum BipA
J Biomol Struct Dyn., 24:6, 2007
6MCD
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BU of 6mcd by Molmil
Crystal Structure of tris-thiolate Pb(II) complex with adjacent water in a de novo Three Stranded Coiled Coil Peptide
分子名称: LEAD (II) ION, Pb(II)(GRAND Coil Ser L12CL16A)-, ZINC ION
著者Tolbert, A.E, Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-31
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Heteromeric three-stranded coiled coils designed using a Pb(II)(Cys)3template mediated strategy.
Nat.Chem., 12, 2020
5TC6
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BU of 5tc6 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with propylthio-immucillin-A
分子名称: (2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol, CHLORIDE ION, GLYCEROL, ...
著者Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
登録日2016-09-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献TBA
To be published
5TC7
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Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 5'-methylthiotubercidin at 1.75 angstrom
分子名称: 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, CHLORIDE ION, PHOSPHATE ION, ...
著者Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
登録日2016-09-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献TBA
To be published
5TC8
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Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with methylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
登録日2016-09-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献TBA
To be published
1U6Q
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BU of 1u6q by Molmil
Substituted 2-Naphthamadine inhibitors of Urokinase
分子名称: TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator
著者Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L.
登録日2004-07-30
公開日2004-10-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
5TC5
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Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-DADMe-Immucillin-A and chloride
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, S-methyl-5'-thioadenosine phosphorylase
著者Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
登録日2016-09-14
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献TBA
To be published
4F3C
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Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-09
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A
Structure, 21, 2013
5VJP
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Crystal Structure of Adenine Phosphoribosyltransferase from Saccharomyces cerevisiae Complexed with L-2,5-Dideoxy-2,5-Imino-Altritol 1,6-Bisphosphate (L-DIAB) and Adenine
分子名称: 1,2-ETHANEDIOL, ADENINE, Adenine phosphoribosyltransferase 1, ...
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-04-19
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Synthesis of bis-Phosphate Iminoaltritol Enantiomers and Structural Characterization with Adenine Phosphoribosyltransferase.
ACS Chem. Biol., 13, 2018
5VJN
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Crystal Structure of Adenine Phosphoribosyltransferase from Saccharomyces cerevisiae Complexed with D-2,5-Dideoxy-2,5-Imino-Altritol 1,6-Bisphosphate (D-DIAB) and Adenine
分子名称: 1,2-ETHANEDIOL, ADENINE, Adenine phosphoribosyltransferase 1, ...
著者Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-04-19
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Synthesis of bis-Phosphate Iminoaltritol Enantiomers and Structural Characterization with Adenine Phosphoribosyltransferase.
ACS Chem. Biol., 13, 2018
4FFS
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Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Helicobacter pylori with butyl-thio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, MTA/SAH nucleosidase
著者Haapalainen, A.M, Rinaldo-Matthis, A, Brown, R.L, Norris, G.E, Almo, S.C, Schramm, V.L.
登録日2012-06-01
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Picomolar Transition State Analogue Inhibitor of MTAN as a Specific Antibiotic for Helicobacter pylori.
Biochemistry, 51, 2012
6XTJ
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The high resolution structure of the FERM domain of human FERMT2
分子名称: CITRIC ACID, Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-01-16
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The high resolution structure of the FERM domain of human FERMT2
To Be Published
5WD6
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bovine salivary protein form 30b
分子名称: CALCIUM ION, Short palate, lung and nasal epithelium carcinoma-associated protein 2B
著者Zhang, H, Arcus, V.L.
登録日2017-07-04
公開日2018-07-11
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The three dimensional structure of Bovine Salivary Protein 30b (BSP30b) and its interaction with specific rumen bacteria.
Plos One, 14, 2019
6WS1
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Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)propyl)amino)butanoic acid and AdoHcy (SAH)
分子名称: 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine, CADMIUM ION, ...
著者Harijan, R.K, Mahmoodi, N, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2020-04-30
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Transition-State Analogues of PhenylethanolamineN-Methyltransferase.
J.Am.Chem.Soc., 142, 2020
5WCZ
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Crystal Structure of Wild-Type MalL from Bacillus subtilis with TS analogue 1-deoxynojirimycin
分子名称: 1-DEOXYNOJIRIMYCIN, GLYCEROL, Oligo-1,6-glucosidase 1
著者Arcus, V.L, Prentice, E.J.
登録日2017-07-03
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Dynamical origins of heat capacity changes in enzyme-catalysed reactions.
Nat Commun, 9, 2018

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