1ONQ
| Crystal Structure of CD1a in Complex with a Sulfatide | Descriptor: | 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, ... | Authors: | Zajonc, D.M, Elsliger, M.A, Teyton, L, Wilson, I.A. | Deposit date: | 2003-02-28 | Release date: | 2003-08-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 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 | Descriptor: | (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, ... | Authors: | Clarke, A.J, Le Nours, J, Rossjohn, J. | Deposit date: | 2012-04-05 | Release date: | 2013-04-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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 | Descriptor: | CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, PLASMINOGEN | Authors: | Xue, Y, Bodin, C, Olsson, K. | Deposit date: | 2011-10-28 | Release date: | 2012-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | 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 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2006-05-04 | Release date: | 2006-08-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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 | Descriptor: | Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Imker, H.J, Sakai, A, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-09-27 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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 | Descriptor: | 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | Deposit date: | 2005-11-10 | Release date: | 2005-12-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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 | Descriptor: | DEBROMOHYMENIALDISINE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFITE ION | Authors: | Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. | Deposit date: | 2005-10-10 | Release date: | 2005-11-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge. J.Comput.Aided Mol.Des., 26, 2012
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4ABA
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 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 | Descriptor: | 2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | Authors: | Leung, A.K.W, Reynolds, R.C, Riordan, J.M, Borhani, D.W. | Deposit date: | 2005-09-29 | Release date: | 2007-04-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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 | Descriptor: | 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Vulpetti, A, Casale, E, Roletto, F, Amici, R, Villa, M, Pevarello, P. | Deposit date: | 2005-06-06 | Release date: | 2005-11-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | 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) | Descriptor: | SINGLE-STRANDED DNA BINDING PROTEIN | Authors: | Raghunathan, S, Waksman, G. | Deposit date: | 1996-12-06 | Release date: | 1997-12-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 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 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MONOOXYGENASE, SULFATE ION | Authors: | Jensen, C.N, Cartwright, J, Hart, S, Turkenburg, J.P, Ali, S.T, Allen, M.J, Grogan, G. | Deposit date: | 2011-11-29 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | 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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4RPB
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4AOQ
| Cationic trypsin in complex with mutated Spinacia oleracea trypsin inhibitor III (SOTI-III) (F14A) | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, PENTAETHYLENE GLYCOL, ... | Authors: | Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W. | Deposit date: | 2012-03-29 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III) Acta Crystallogr.,Sect.D, 69, 2013
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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 | Descriptor: | CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR | Authors: | Williams, C, Prince, S, Zaccheo, O, Hassan, A.B, Crosby, J, Crump, M. | Deposit date: | 2006-05-22 | Release date: | 2007-05-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Schmelz, S, Glotzbach, B, Reinwarth, M, Christmann, A, Kolmar, H, Heinz, D.W. | Deposit date: | 2012-03-29 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | 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 | Descriptor: | 1,2-ETHANEDIOL, 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine, CALCIUM ION, ... | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2011-12-08 | Release date: | 2012-02-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | 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 | Descriptor: | (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 | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2005-05-09 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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 | Descriptor: | ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, NONSECRETORY RIBONUCLEASE | Authors: | Baker, M.D, Holloway, D.E, Swaminathan, G.J, Acharya, K.R. | Deposit date: | 2005-08-24 | Release date: | 2006-01-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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