1RJM
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![BU of 1rjm by Molmil](/molmil-images/mine/1rjm) | Crystal Structure of MenB (Rv0548c) from Mycobacterium tuberculosis | 分子名称: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, MenB | 著者 | Johnston, J.M, Arcus, V.L, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2003-11-19 | 公開日 | 2004-11-30 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure of naphthoate synthase (MenB) from Mycobacterium tuberculosis in both native and product-bound forms. Acta Crystallogr.,Sect.D, 61, 2005
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1RSI
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![BU of 1rsi by Molmil](/molmil-images/mine/1rsi) | DHNA complex with 2-Amino-5-bromo-3-hydroxy-6-phenylpyrimidine | 分子名称: | 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN-4-OL, Dihydroneopterin aldolase | 著者 | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | 登録日 | 2003-12-09 | 公開日 | 2004-03-30 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1UP7
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![BU of 1up7 by Molmil](/molmil-images/mine/1up7) | Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J. | 登録日 | 2003-09-29 | 公開日 | 2004-11-18 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Nad+ and Metal-Ion Dependent Hydrolysis by Family 4 Glycosidases: Structural Insight Into Specificity for Phospho-Beta-D-Glucosides J.Mol.Biol., 346, 2005
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1RR6
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![BU of 1rr6 by Molmil](/molmil-images/mine/1rr6) | Structure of human purine nucleoside phosphorylase in complex with Immucillin-H and phosphate | 分子名称: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PHOSPHATE ION, Purine nucleoside phosphorylase | 著者 | Shi, W, Lewandowicz, A, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | 登録日 | 2003-12-08 | 公開日 | 2005-02-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Plasmodium falciparum purine nucleoside phosphorylase: crystal structures, immucillin inhibitors, and dual catalytic function. J.Biol.Chem., 279, 2004
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1RT9
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![BU of 1rt9 by Molmil](/molmil-images/mine/1rt9) | Structure of human purine nucleoside phosphorylase in complex with Immucillin-H and sulfate | 分子名称: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, Purine nucleoside phosphorylase, SULFATE ION | 著者 | Shi, W, Lewandowicz, A, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | 登録日 | 2003-12-10 | 公開日 | 2005-02-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural comparison of human and malarial purine nucleoside phosphorylases To be Published
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1RRY
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![BU of 1rry by Molmil](/molmil-images/mine/1rry) | DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine | 分子名称: | 2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, Dihydroneopterin aldolase | 著者 | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | 登録日 | 2003-12-09 | 公開日 | 2004-03-30 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization. J.Med.Chem., 47, 2004
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1V8P
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![BU of 1v8p by Molmil](/molmil-images/mine/1v8p) | Crystal structure of PAE2754 from Pyrobaculum aerophilum | 分子名称: | CHLORIDE ION, hypothetical protein PAE2754 | 著者 | Arcus, V.L, Backbro, K, Roos, A, Daniel, E.L, Baker, E.N. | 登録日 | 2004-01-12 | 公開日 | 2004-02-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Distant structural homology leads to the functional characterization of an archaeal PIN domain as an exonuclease J.Biol.Chem., 279, 2004
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1U68
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![BU of 1u68 by Molmil](/molmil-images/mine/1u68) | DHNA 7,8 DIHYDRONEOPTERIN COMPLEX | 分子名称: | 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, Dihydroneopterin aldolase | 著者 | Sanders, W.J, Nienaber, V.L, Lerner, C.G, McCall, J.O, Merrick, S.M, Swanson, S.J, Harlan, J.E, Stoll, V.S, Stamper, G.F, Betz, S.F, Condroski, K.R, Meadows, R.P, Severin, J.M, Walter, K.A, Magdalinos, P, Jakob, C.G, Wagner, R, Beutel, B.A. | 登録日 | 2004-07-29 | 公開日 | 2004-10-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization. J.MED.CHEM., 47, 2004
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1UP6
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![BU of 1up6 by Molmil](/molmil-images/mine/1up6) | Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.55 Angstrom resolution in the tetragonal form with manganese, NAD+ and glucose-6-phosphate | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, 6-PHOSPHO-BETA-GLUCOSIDASE, MANGANESE (II) ION, ... | 著者 | Varrot, A, Yip, V.L, Withers, S.G, Davies, G.J. | 登録日 | 2003-09-29 | 公開日 | 2004-08-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | An Unusual Mechanism of Glycoside Hydrolysis Involving Redox and Elimination Steps by a Family 4 Beta-Glycosidase from Thermotoga Maritima. J.Am.Chem.Soc., 126, 2004
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1V8O
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![BU of 1v8o by Molmil](/molmil-images/mine/1v8o) | Crystal Structure of PAE2754 from Pyrobaculum aerophilum | 分子名称: | CHLORIDE ION, hypothetical protein PAE2754 | 著者 | Arcus, V.L, Backbro, K, Roos, A, Daniel, E.L, Baker, E.N. | 登録日 | 2004-01-12 | 公開日 | 2004-02-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Distant structural homology leads to the functional characterization of an archaeal PIN domain as an exonuclease J.Biol.Chem., 279, 2004
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1SF3
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![BU of 1sf3 by Molmil](/molmil-images/mine/1sf3) | Structure of the reduced form of the P94A mutant of amicyanin | 分子名称: | Amicyanin, COPPER (I) ION, PHOSPHATE ION | 著者 | Carrell, C.J, Sun, D, Jiang, S, Davidson, V.L, Mathews, F.S. | 登録日 | 2004-02-19 | 公開日 | 2004-07-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Structural Studies of Two Mutants of Amicyanin from Paracoccus denitrificans That Stabilize the Reduced State of the Copper. Biochemistry, 43, 2004
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1SJ5
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![BU of 1sj5 by Molmil](/molmil-images/mine/1sj5) | Crystal structure of a duf151 family protein (tm0160) from thermotoga maritima at 2.8 A resolution | 分子名称: | conserved hypothetical protein TM0160 | 著者 | Spraggon, G, Panatazatos, D, Klock, H.E, Wilson, I.A, Woods Jr, V.L, Lesley, S.A, Joint Center for Structural Genomics (JCSG) | 登録日 | 2004-03-02 | 公開日 | 2005-03-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | On the use of DXMS to produce more crystallizable proteins: structures of the T. maritima proteins TM0160 and TM1171. Protein Sci., 13, 2004
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1SQA
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![BU of 1sqa by Molmil](/molmil-images/mine/1sqa) | Substituted 2-Naphthamidine Inhibitors of Urokinase | 分子名称: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator | 著者 | Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhao, X, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L. | 登録日 | 2004-03-18 | 公開日 | 2004-04-27 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors. Bioorg.Med.Chem.Lett., 14, 2004
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5NKE
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![BU of 5nke by Molmil](/molmil-images/mine/5nke) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3a | 分子名称: | 2-[[3-bromanyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK9
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![BU of 5nk9 by Molmil](/molmil-images/mine/5nk9) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2e | 分子名称: | (2~{Z})-~{N}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.588 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKI
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![BU of 5nki by Molmil](/molmil-images/mine/5nki) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4b | 分子名称: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.675 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK0
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![BU of 5nk0 by Molmil](/molmil-images/mine/5nk0) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1j | 分子名称: | 2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.597 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK4
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![BU of 5nk4 by Molmil](/molmil-images/mine/5nk4) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2c | 分子名称: | 1,2-ETHANEDIOL, 2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKB
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![BU of 5nkb by Molmil](/molmil-images/mine/5nkb) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4a | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKH
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![BU of 5nkh by Molmil](/molmil-images/mine/5nkh) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3e | 分子名称: | 2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK8
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![BU of 5nk8 by Molmil](/molmil-images/mine/5nk8) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2f | 分子名称: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.761 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKG
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![BU of 5nkg by Molmil](/molmil-images/mine/5nkg) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3d | 分子名称: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK3
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![BU of 5nk3 by Molmil](/molmil-images/mine/5nk3) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1l | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{S})-pyrrolidin-3-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.586 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKC
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![BU of 5nkc by Molmil](/molmil-images/mine/5nkc) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2h | 分子名称: | (3~{S})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.448 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NK7
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![BU of 5nk7 by Molmil](/molmil-images/mine/5nk7) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2a | 分子名称: | Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2017-03-31 | 公開日 | 2017-06-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | 主引用文献 | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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