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PDB: 1980 件
1RS2
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DHNA complex with 8-Amino-1,3-dimethyl-3,7-dihydropurine-2,6-dione
分子名称: 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6-DIONE, 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 (2.31 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
1IC8
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HEPATOCYTE NUCLEAR FACTOR 1A BOUND TO DNA : MODY3 GENE PRODUCT
分子名称: 5'-D(*CP*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*TP*CP*AP*CP*CP*AP*GP*A)-3', 5'-D(*TP*CP*TP*GP*GP*TP*GP*AP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*AP*G)-3', HEPATOCYTE NUCLEAR FACTOR 1-ALPHA
著者Chi, Y.-I, Frantz, J.D, Oh, B.-C, Hansen, L, Dhe-Paganon, S, Shoelson, S.E.
登録日2001-03-30
公開日2002-11-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Diabetes mutations delineate an atypical POU domains in HNF1-Alpha
Mol.Cell, 10, 2002
2A1H
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X-ray crystal structure of human mitochondrial branched chain aminotransferase (BCATm) complexed with gabapentin
分子名称: ACETIC ACID, PYRIDOXAL-5'-PHOSPHATE, [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID, ...
著者Goto, M, Miyahara, I, Hirotsu, K, Conway, M, Yennawar, N, Islam, M.M, Hutson, S.M.
登録日2005-06-20
公開日2005-09-06
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural determinants for branched-chain aminotransferase isozyme-specific inhibition by the anticonvulsant drug gabapentin.
J.Biol.Chem., 280, 2005
2MTT
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BU of 2mtt by Molmil
Non-reducible analogues of alpha-conotoxin RgIA: [3,12]-cis dicarba RgIA
分子名称: Dicarba Analogues of alpha-Conotoxin RgIA
著者Chhabra, S, Robinson, S.D, Norton, R.S.
登録日2014-08-31
公開日2014-11-26
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets.
J.Med.Chem., 57, 2014
1PXX
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CRYSTAL STRUCTURE OF DICLOFENAC BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2
分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kiefer, J.R, Rowlinson, S.W, Prusakiewicz, J.J, Pawlitz, J.L, Kozak, K.R, Kalgutkar, A.S, Stallings, W.C, Marnett, L.J, Kurumbail, R.G.
登録日2003-07-07
公開日2003-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Novel Mechanism of Cyclooxygenase-2 Inhibition Involving Interactions with Ser-530 and Tyr-385.
J.Biol.Chem., 278, 2003
1T4N
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Solution structure of Rnt1p dsRBD
分子名称: Ribonuclease III
著者Leulliot, N, Quevillon-Cheruel, S, Graille, M, van Tilbeurgh, H, Leeper, T.C, Godin, K.S, Edwards, T.E, Sigurdsson, S.T, Rozenkrants, N, Nagel, R.J, Ares, M, Varani, G.
登録日2004-04-30
公開日2004-07-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A new alpha-helical extension promotes RNA binding by the dsRBD of Rnt1p RNAse III
Embo J., 23, 2004
1T4O
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Crystal structure of rnt1p dsRBD
分子名称: Ribonuclease III
著者Leulliot, N, Quevillon-Cheruel, S, Graille, M, van Tilbeurgh, H, Leeper, T.C, Godin, K.S, Edwards, T.E, Sigurdsson, S.T, Rozenkrants, N, Nagel, R.J, Ares Jr, M, Varani, G.
登録日2004-04-30
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A new alpha-helical extension promotes RNA binding by the dsRBD of Rnt1p RNAse III
Embo J., 23, 2004
2CDO
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structure of agarase carbohydrate binding module in complex with neoagarohexaose
分子名称: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ...
著者Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J.
登録日2006-01-25
公開日2006-02-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains.
J.Biol.Chem., 281, 2006
1I85
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CRYSTAL STRUCTURE OF THE CTLA-4/B7-2 COMPLEX
分子名称: CYTOTOXIC T-LYMPHOCYTE-ASSOCIATED PROTEIN 4, T LYMPHOCYTE ACTIVATION ANTIGEN CD86
著者Schwartz, J.-C.D, Zhang, X, Fedorov, A.A, Nathenson, S.G, Almo, S.C.
登録日2001-03-12
公開日2001-04-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for co-stimulation by the human CTLA-4/B7-2 complex.
Nature, 410, 2001
2MTO
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Non-reducible analogues of alpha-conotoxin RgIA: [2,8]-cis dicarba RgIA
分子名称: Alpha-conotoxin RgIA
著者Chhabra, S, Robinson, S, Norton, R.
登録日2014-08-26
公開日2014-11-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets.
J.Med.Chem., 57, 2014
1JMU
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Crystal Structure of the Reovirus mu1/sigma3 Complex
分子名称: CHLORIDE ION, PROTEIN MU-1, SIGMA 3 PROTEIN, ...
著者Liemann, S, Nibert, M.L, Harrison, S.C.
登録日2001-07-20
公開日2002-02-06
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the reovirus membrane-penetration protein, Mu1, in a complex with is protector protein, Sigma3.
Cell(Cambridge,Mass.), 108, 2002
1RHK
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Crystal structure of the complex of caspase-3 with a phenyl-propyl-ketone inhibitor
分子名称: Caspase-3, acetyl-asp-glu-val-fpr
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RSD
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DHNA complex with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-[2-(2-hydroxymethyl-phenylsulfanyl)-benzyl]-benzamide
分子名称: 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE, 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 (2.5 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
1RHR
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CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A CINNAMIC ACID METHYL ESTER INHIBITOR
分子名称: (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RS4
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DHNA, 7,8-Dihydroneopterin Aldolase complexed with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide
分子名称: 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-(3,5-DICHLOROBENZYL)-BENZAMIDE, 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
1RSI
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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
1ZK5
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Escherichia coli F17fG lectin domain complex with N-acetylglucosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F17G adhesin subunit
著者Buts, L, Wellens, A, Van Molle, I, De Genst, E, Wyns, L, Loris, R, Lahmann, M, Oscarson, S, De Greve, H, Bouckaert, J.
登録日2005-05-02
公開日2006-05-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Impact of natural variation in bacterial F17G adhesins on crystallization behaviour.
Acta Crystallogr.,Sect.D, 61, 2005
2A2Y
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NMR Structue of Sso10b2 from Sulfolobus solfataricus
分子名称: DNA/RNA-binding protein Alba 2
著者Biyani, K, Kahsai, M.A, Clark, A.T, Armstrong, T.L, Edmondson, S.P, Shriver, J.W.
登録日2005-06-23
公開日2005-11-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure, stability, and nucleic Acid binding of the hyperthermophile protein sso10b2.
Biochemistry, 44, 2005
1MFP
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E. coli Enoyl Reductase in complex with NAD and SB611113
分子名称: (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Seefeld, M.A, Miller, W.H, Newlander, K.A, Burgess, W.J, DeWolf Jr, W.E, Elkins, P.A, Head, M.S, Jakas, D.R, Janson, C.A, Keller, P.M, Manley, P.J, Moore, T.D, Payne, D.J, Pearson, S, Polizzi, B.J, Qiu, X, Rittenhouse, S.F, Uzinskas, I.N, Wallis, N.G, Huffman, W.F.
登録日2002-08-13
公開日2003-05-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Indole Naphthyridinones as Inhibitors of Bacterial Enoyl-ACP Reductases FabI and FabK
J.MED.CHEM., 46, 2003
1RHQ
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CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A BROMOMETHOXYPHENYL INHIBITOR
分子名称: 5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1T4C
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Formyl-CoA Transferase in complex with Oxalyl-CoA
分子名称: COENZYME A, Formyl-CoA:oxalate CoA-transferase, OXALIC ACID
著者Ricagno, S, Jonsson, S, Richards, N.G, Lindqvist, Y.
登録日2004-04-29
公開日2004-08-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Kinetic and mechanistic characterization of the formyl-CoA transferase from Oxalobacter formigenes
J.Biol.Chem., 279, 2004
1T3Z
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Formyl-CoA Tranferase mutant Asp169 to Ser
分子名称: Formyl-coenzyme A transferase, OXIDIZED COENZYME A
著者Ricagno, S, Jonsson, S, Richards, N.G, Lindqvist, Y.
登録日2004-04-28
公開日2004-08-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Kinetic and mechanistic characterization of the formyl-CoA transferase from Oxalobacter formigenes
J.Biol.Chem., 279, 2004
1RHU
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CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR
分子名称: (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3
著者Becker, J.W, Rotonda, J, Soisson, S.M.
登録日2003-11-14
公開日2004-05-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RRY
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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
2OH2
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Ternary Complex of Human DNA Polymerase
分子名称: 5'-D(*GP*GP*G*GP*GP*AP*AP*GP*GP*AP*CP*CP*C)-3', 5'-D(*TP*T*CP*CP*AP*GP*GP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', DNA polymerase kappa, ...
著者Lone, S, Townson, S.A, Uljon, S.N, Prakash, S, Prakash, L, Aggarwal, A.K.
登録日2007-01-09
公開日2007-02-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Ternary complex of the catalytic core of human DNA polymerase Kappa with DNA and dTT
To be Published

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