1J9O
| SOLUTION STRUCTURE OF HUMAN LYMPHOTACTIN | Descriptor: | LYMPHOTACTIN | Authors: | Kuloglu, E.S, McCaslin, D.R, Kitabwalla, M, Pauza, C.D, Markley, J.L, Volkman, B.F. | Deposit date: | 2001-05-28 | Release date: | 2001-10-24 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Monomeric solution structure of the prototypical 'C' chemokine lymphotactin. Biochemistry, 40, 2001
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4ABG
| Fragments bound to bovine trypsin for the SAMPL challenge | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-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 (1.52 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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1JCJ
| OBSERVATION OF COVALENT INTERMEDIATES IN AN ENZYME MECHANISM AT ATOMIC RESOLUTION | Descriptor: | 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE, DEOXYRIBOSE-PHOSPHATE ALDOLASE | Authors: | Heine, A, DeSantis, G, Luz, J.G, Mitchell, M, Wong, C.-H, Wilson, I.A. | Deposit date: | 2001-06-09 | Release date: | 2001-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Observation of covalent intermediates in an enzyme mechanism at atomic resolution. Science, 294, 2001
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4A5Y
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1AUJ
| BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR | Descriptor: | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID, CALCIUM ION, TRYPSIN | Authors: | Alexander, R, Smallwood, A, Kettner, C. | Deposit date: | 1997-08-28 | Release date: | 1998-10-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New inhibitors of thrombin and other trypsin-like proteases: hydrogen bonding of an aromatic cyano group with a backbone amide of the P1 binding site replaces binding of a basic side chain. Biochemistry, 36, 1997
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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: | 2024-10-09 | 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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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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1B5T
| ESCHERICHIA COLI METHYLENETETRAHYDROFOLATE REDUCTASE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MERCURY (II) ION, PROTEIN (METHYLENETETRAHYDROFOLATE REDUCTASE) | Authors: | Guenther, B.D, Sheppard, C.A, Tran, P, Rozen, R, Matthews, R.G, Ludwig, M.L. | Deposit date: | 1999-01-07 | Release date: | 1999-01-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure and properties of methylenetetrahydrofolate reductase from Escherichia coli suggest how folate ameliorates human hyperhomocysteinemia. Nat.Struct.Biol., 6, 1999
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1ATA
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3Q3K
| Factor Xa in complex with a phenylenediamine derivative | Descriptor: | Activated factor Xa heavy chain, CALCIUM ION, Factor X light chain, ... | Authors: | Suzuki, M, Imai, E. | Deposit date: | 2010-12-22 | Release date: | 2011-12-28 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis and SAR of novel ethylenediamine and phenylenediamine derivatives as factor Xa inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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1ATN
| Atomic structure of the actin:DNASE I complex | Descriptor: | ACTIN, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | Authors: | Kabsch, W, Mannherz, H.G, Suck, D, Pai, E, Holmes, K.C. | Deposit date: | 1991-03-08 | Release date: | 1992-07-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Atomic structure of the actin:DNase I complex. Nature, 347, 1990
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4C9S
| BACTERIAL CHALCONE ISOMERASE IN open CONFORMATION FROM EUBACTERIUM RAMULUS AT 1.8 A RESOLUTION | Descriptor: | CHALCONE ISOMERASE, CHLORIDE ION, GLYCEROL, ... | Authors: | Thomsen, M, Palm, G.J, Hinrichs, W. | Deposit date: | 2013-10-03 | Release date: | 2014-10-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and Catalytic Mechanism of the Evolutionarily Unique Bacterial Chalcone Isomerase Acta Crystallogr.,Sect.D, 71, 2015
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1BIM
| CRYSTALLOGRAPHIC STUDIES ON THE BINDING MODES OF P2-P3 BUTANEDIAMIDE RENIN INHIBITORS | Descriptor: | (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-{(1S,2S)-1-(cyclohexylmethyl)-2-hydroxy-2-[(3R)-1,5,5-trimethyl-2-oxopyrrolidin-3-yl]ethyl}-N~4~-[2-(dimethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide, Renin | Authors: | Tong, L. | Deposit date: | 1995-09-27 | Release date: | 1996-01-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic studies on the binding modes of P2-P3 butanediamide renin inhibitors. J.Biol.Chem., 270, 1995
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3PWV
| An immmunodominant CTL epitope from rinderpest virus presented by cattle MHC class I molecule N*01801 (BoLA-A11) | Descriptor: | 9-mer peptide from Hemagglutinin, Beta-2-microglobulin, MHC class I antigen | Authors: | Li, X, Liu, J, Qi, J, Gao, F, Li, Q, Li, X, Zhang, N, Xia, C, Gao, G.F. | Deposit date: | 2010-12-09 | Release date: | 2011-08-24 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.696 Å) | Cite: | Two distinct conformations of a rinderpest virus epitope presented by bovine major histocompatibility complex class I N*01801: a host strategy to present featured peptides J.Virol., 85, 2011
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1BIO
| HUMAN COMPLEMENT FACTOR D IN COMPLEX WITH ISATOIC ANHYDRIDE INHIBITOR | Descriptor: | COMPLEMENT FACTOR D, GLYCEROL, ISATOIC ANHYDRIDE | Authors: | Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L. | Deposit date: | 1998-06-18 | Release date: | 1999-06-22 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity. J.Mol.Biol., 282, 1998
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3Q8A
| Crystal structure of WT Protective Antigen (pH 5.5) | Descriptor: | CALCIUM ION, Protective antigen | Authors: | Rajapaksha, M, Lovell, S, Janowiak, B.E, Andra, K.K, Battaile, K.P, Bann, J.G. | Deposit date: | 2011-01-06 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.129 Å) | Cite: | pH effects on binding between the anthrax protective antigen and the host cellular receptor CMG2. Protein Sci., 21, 2012
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4A8B
| Symmetrized cryo-EM reconstruction of E. coli DegQ 12-mer in complex with lysozymes | Descriptor: | LYSOZYME C, PERIPLASMIC PH-DEPENDENT SERINE ENDOPROTEASE DEGQ | Authors: | Malet, H, Canellas, F, Sawa, J, Yan, J, Thalassinos, K, Ehrmann, M, Clausen, T, Saibil, H.R. | Deposit date: | 2011-11-20 | Release date: | 2012-01-11 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (13 Å) | Cite: | Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq Nat.Struct.Mol.Biol., 19, 2012
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3QFL
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1BIK
| X-RAY STRUCTURE OF BIKUNIN FROM THE HUMAN INTER-ALPHA-INHIBITOR COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BIKUNIN, SULFATE ION | Authors: | Xu, Y, Carr, P.D, Guss, J.M, Ollis, D.L. | Deposit date: | 1997-11-26 | Release date: | 1999-03-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of bikunin from the inter-alpha-inhibitor complex: a serine protease inhibitor with two Kunitz domains. J.Mol.Biol., 276, 1998
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4AQY
| Structure of ribosome-apramycin complexes | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Matt, T, Ng, C.L, Lang, K, Sha, S.H, Akbergenov, R, Shcherbakov, D, Meyer, M, Duscha, S, Xie, J, Dubbaka, S.R, Perez-Fernandez, D, Vasella, A, Ramakrishnan, V, Schacht, J, Bottger, E.C. | Deposit date: | 2012-04-20 | Release date: | 2012-07-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Dissociation of Antibacterial Activity and Aminoglycoside Ototoxicity in the 4-Monosubstituted 2-Deoxystreptamine Apramycin. Proc.Natl.Acad.Sci.USA, 109, 2012
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1JRT
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3QAM
| Crystal Structure of Glu208Ala mutant of catalytic subunit of cAMP-dependent protein kinase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein kinase inhibitor, ... | Authors: | Yang, J, Wu, J, Steichen, J, Taylor, S.S. | Deposit date: | 2011-01-11 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A conserved Glu-Arg salt bridge connects coevolved motifs that define the eukaryotic protein kinase fold. J.Mol.Biol., 415, 2012
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1JRS
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3QT4
| Structure of digestive procathepsin L 3 of Tenebrio molitor larval midgut | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Cathepsin-L-like midgut cysteine proteinase, PHOSPHATE ION, ... | Authors: | Beton, D, Guzzo, C.R, Terra, W.R, Farah, C.S. | Deposit date: | 2011-02-22 | Release date: | 2012-02-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The 3D structure and function of digestive cathepsin L-like proteinases of Tenebrio molitor larval midgut. Insect Biochem.Mol.Biol., 42, 2012
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3QU8
| Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with the inhibitor 4-(4-Nitrobenzyl)pyridine. | Descriptor: | 4-(4-nitrobenzyl)pyridine, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | Deposit date: | 2011-02-23 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side Chains. Mol.Pharmacol., 80, 2011
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