1ONQ
 
 | | Crystal Structure of CD1a in Complex with a Sulfatide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | 著者 | Zajonc, D.M, Elsliger, M.A, Teyton, L, Wilson, I.A. | | 登録日 | 2003-02-28 | | 公開日 | 2003-08-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal structure of CD1a in complex with a sulfatide self antigen at a resolution of 2.15 A.
Nat.Immunol., 4, 2003
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4APQ
 | | Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-sulfatide | | 分子名称: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN-PRESENTING GLYCOPROTEIN CD1D1, ... | | 著者 | Clarke, A.J, Le Nours, J, Rossjohn, J. | | 登録日 | 2012-04-05 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Type-II Natural Killer T Cell Antigen Receptor Mediated Recognition of Cd1D-Sulfatide
To be Published
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4A5T
 | | STRUCTURAL BASIS FOR THE CONFORMATIONAL MODULATION | | 分子名称: | CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, PLASMINOGEN | | 著者 | Xue, Y, Bodin, C, Olsson, K. | | 登録日 | 2011-10-28 | | 公開日 | 2012-05-23 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | | 主引用文献 | Crystal Structure of the Native Plasminogen Reveals an Activation-Resistant Compact Conformation.
J. Thromb. Haemost., 10, 2012
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2CMB
 | | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | | 分子名称: | N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1, octyl beta-D-glucopyranoside | | 著者 | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | | 登録日 | 2006-05-04 | | 公開日 | 2006-08-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
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2C7O
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3K1G
 | | Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Ser-L-Tyr | | 分子名称: | Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C. | | 登録日 | 2009-09-27 | | 公開日 | 2010-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2C6I
 | | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | | 分子名称: | 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | 登録日 | 2005-11-10 | | 公開日 | 2005-12-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
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2C3J
 | | Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification | | 分子名称: | DEBROMOHYMENIALDISINE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFITE ION | | 著者 | Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. | | 登録日 | 2005-10-10 | | 公開日 | 2005-11-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification.
Bioorg.Med.Chem., 14, 2006
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4ABD
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4ABA
 | | 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
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2C2S
 | | Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine, A novel boron containing, nonclassical Antifolate | | 分子名称: | 2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | | 著者 | Leung, A.K.W, Reynolds, R.C, Riordan, J.M, Borhani, D.W. | | 登録日 | 2005-09-29 | | 公開日 | 2007-04-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.
J.Med.Chem., 50, 2007
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1OSU
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2BTS
 | | STRUCTURE OF CDK2 COMPLEXED WITH PNU-230032 | | 分子名称: | 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Vulpetti, A, Casale, E, Roletto, F, Amici, R, Villa, M, Pevarello, P. | | 登録日 | 2005-06-06 | | 公開日 | 2005-11-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structure-Based Drug Design to the Discovery of New 2-Aminothiazole Cdk2 Inhibitors.
J.Mol.Graph.Model., 24, 2006
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1KAW
 | | STRUCTURE OF SINGLE STRANDED DNA BINDING PROTEIN (SSB) | | 分子名称: | SINGLE-STRANDED DNA BINDING PROTEIN | | 著者 | Raghunathan, S, Waksman, G. | | 登録日 | 1996-12-06 | | 公開日 | 1997-12-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of the homo-tetrameric DNA binding domain of Escherichia coli single-stranded DNA-binding protein determined by multiwavelength x-ray diffraction on the selenomethionyl protein at 2.9-A resolution.
Proc.Natl.Acad.Sci.USA, 94, 1997
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4A9W
 | | Flavin-containing monooxygenase from Stenotrophomonas maltophilia | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, MONOOXYGENASE, SULFATE ION | | 著者 | Jensen, C.N, Cartwright, J, Hart, S, Turkenburg, J.P, Ali, S.T, Allen, M.J, Grogan, G. | | 登録日 | 2011-11-29 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | A Flavoprotein Monooxygenase that Catalyses a Baeyer-Villiger Reaction and Thioether Oxidation Using Nadh as the Nicotinamide Cofactor.
Chembiochem, 13, 2012
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4AOQ
 | | Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A) | | 分子名称: | CALCIUM ION, CATIONIC TRYPSIN, PENTAETHYLENE GLYCOL, ... | | 著者 | Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W. | | 登録日 | 2012-03-29 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
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4RPB
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4ABE
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2CNJ
 | | NMR studies on the interaction of Insulin-Growth Factor II (IGF-II) with IGF2R domain 11 | | 分子名称: | CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR | | 著者 | Williams, C, Prince, S, Zaccheo, O, Hassan, A.B, Crosby, J, Crump, M. | | 登録日 | 2006-05-22 | | 公開日 | 2007-05-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural Insights Into the Interaction of Insulin-Like Growth Factor 2 with Igf2R Domain 11.
Structure, 15, 2007
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4AB8
 | | 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
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2C6U
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4AOR
 | | Cationic trypsin in complex with the Spinacia oleracea trypsin inhibitor III (SOTI-III) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ... | | 著者 | Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W. | | 登録日 | 2012-03-29 | | 公開日 | 2013-01-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III)
Acta Crystallogr.,Sect.D, 69, 2013
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4AB9
 | | 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
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2BRO
 | | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | | 分子名称: | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-YLIDENE]AMINO}PROPANE-1,2-DIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | | 登録日 | 2005-05-09 | | 公開日 | 2005-05-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
J.Med.Chem., 48, 2005
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2C02
 | | Crystal Structures of Eosinophil-derived Neurotoxin in Complex with the Inhibitors 5'-ATP, Ap3A, Ap4A and Ap5A | | 分子名称: | ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, NONSECRETORY RIBONUCLEASE | | 著者 | Baker, M.D, Holloway, D.E, Swaminathan, G.J, Acharya, K.R. | | 登録日 | 2005-08-24 | | 公開日 | 2006-01-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of Eosinophil-Derived Neurotoxin (Edn) in Complex with the Inhibitors 5'- ATP, Ap(3)A, Ap(4)A, and Ap(5)A.
Biochemistry, 45, 2006
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