4JFK
 
 | | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2013-02-28 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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1A4W
 | | CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | | Authors: | Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A. | | Deposit date: | 1998-02-06 | | Release date: | 1998-04-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
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3TSS
 | | TOXIC SHOCK SYNDROME TOXIN-1 TETRAMUTANT, P2(1) CRYSTAL FORM | | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | | Deposit date: | 1996-12-11 | | Release date: | 1997-12-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity.
Protein Sci., 6, 1997
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4JFL
 | | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one | | Descriptor: | 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2013-02-28 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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2TSS
 | | TOXIC SHOCK SYNDROME TOXIN-1 FROM STAPHYLOCOCCUS AUREUS: ORTHORHOMBICC222(1) CRYSTAL FORM | | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | | Authors: | Prasad, G.S, Radhakrishnan, R, Mitchell, D.T, Earhart, C.A, Dinges, M.M, Cook, W.J, Schlivert, P.M, Ohlendorf, D.H. | | Deposit date: | 1996-12-04 | | Release date: | 1997-12-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Refined structures of three crystal forms of toxic shock syndrome toxin-1 and of a tetramutant with reduced activity.
Protein Sci., 6, 1997
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2KHA
 | | Solution Structure of a Pathogen Recognition Domain from a Lepidopteran Insect, Plodia interpunctella | | Descriptor: | Beta-1,3-glucan-binding protein | | Authors: | Dai, H, Hiromasa, Y, Fabrick, J, Vandervelde, D, Kanost, M, Krishnamoorthi, R. | | Deposit date: | 2009-03-29 | | Release date: | 2010-03-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An initial event in the insect innate immune response: structural and biological studies of interactions between beta-1,3-glucan and the N-terminal domain of beta-1,3-glucan recognition protein
Biochemistry, 52, 2013
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1PWF
 | | One Sugar Pucker Fits All: Pairing Versatility Despite Conformational Uniformity in TNA | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(2MU)P*(FA2)P*CP*GP*C)-3', SPERMINE | | Authors: | Pallan, P.S, Wilds, C.J, Wawrzak, Z, Krishnamurthy, R, Eschenmoser, A, Egli, M. | | Deposit date: | 2003-07-01 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Why does TNA cross-pair more strongly with RNA than with DNA? an answer from X-ray analysis.
ANGEW.CHEM.INT.ED.ENGL., 42, 2003
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1PG7
 | | Murine 6A6 Fab in complex with humanized anti-Tissue Factor D3H44 Fab | | Descriptor: | humanized antibody D3H44, murine antibody 6A6 Fab fragment | | Authors: | Eigenbrot, C, Meng, Y.G, Krishnamurthy, R, Lipari, M.T, Presta, L, Devaux, B, Wong, T, Moran, P, Bullens, S, Kirchhofer, D. | | Deposit date: | 2003-05-27 | | Release date: | 2003-08-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insight into how an anti-idiotypic antibody against D3H44 (anti-tissue factor antibody) restores normal coagulation.
J.Mol.Biol., 331, 2003
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1TBZ
 | | HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN | | Descriptor: | ALPHA-THROMBIN, D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide, HIRUGEN, ... | | Authors: | Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A. | | Deposit date: | 1998-02-05 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
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8VC8
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1D6W
 | | STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTROPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 | | Descriptor: | (5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide, DECAPEPTIDE INHIBITOR, SODIUM ION, ... | | Authors: | Mochalkin, I, Tulinsky, A. | | Deposit date: | 1999-10-15 | | Release date: | 2000-10-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
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7N7X
 | | Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution | | Descriptor: | Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain | | Authors: | Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W. | | Deposit date: | 2021-06-11 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).
J.Med.Chem., 64, 2021
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1INC
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1AQP
 | | RIBONUCLEASE A COPPER COMPLEX | | Descriptor: | COPPER (II) ION, RIBONUCLEASE A | | Authors: | Ramasubbu, N. | | Deposit date: | 1997-07-31 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the copper and nickel complexes of RNase A: metal-induced interprotein interactions and identification of a novel copper binding motif.
Proc.Natl.Acad.Sci.USA, 94, 1997
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4DGG
 | | c-SRC kinase domain in complex with RM-1-176 | | Descriptor: | 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Merritt, E.A, Larson, E.T. | | Deposit date: | 2012-01-25 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Active site profiling reveals coupling between domains in SRC-family kinases.
Nat.Chem.Biol., 9, 2013
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2EC9
 | | Crystal structure analysis of human Factor VIIa , Souluble tissue factor complexed with BCX-3607 | | Descriptor: | 1,5-anhydro-D-glucitol, 2'-((5-CARBAMIMIDOYLPYRIDIN-2-YLAMINO)METHYL)-4-(ISOBUTYLCARBAMOYL)-4'-VINYLBIPHENYL-2-CARBOXYLIC ACID, CALCIUM ION, ... | | Authors: | Raman, K, Yarlagadda, B. | | Deposit date: | 2007-02-13 | | Release date: | 2008-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa.
Acta Crystallogr.,Sect.D, 63, 2007
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1RH2
 | | RECOMBINANT HUMAN INTERFERON-ALPHA 2B | | Descriptor: | INTERFERON-ALPHA 2B, ZINC ION | | Authors: | Walter, M.R. | | Deposit date: | 1996-11-07 | | Release date: | 1997-11-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Zinc mediated dimer of human interferon-alpha 2b revealed by X-ray crystallography.
Structure, 4, 1996
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4PTL
 | | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-GM | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-03-11 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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4OQF
 | | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-SR | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-02-09 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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4PPG
 | | Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-BR | | Descriptor: | CITRATE ANION, Protein RecA, 1st part, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-02-27 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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4PPQ
 | | Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-CR | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-02-27 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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4PQY
 | | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-N4 | | Descriptor: | GLYCEROL, Protein RecA, 1st part, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-03-05 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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4PO8
 | | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-CR | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-02-25 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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4PQF
 | | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-CR | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-03-03 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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4PQR
 | | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-BN | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-03-04 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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