4Y0Y
| Trypsin in complex with with BPTI | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | Deposit date: | 2015-02-06 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
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1INN
| CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, P21 | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
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1F0X
| CRYSTAL STRUCTURE OF D-LACTATE DEHYDROGENASE, A PERIPHERAL MEMBRANE RESPIRATORY ENZYME. | Descriptor: | D-LACTATE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Dym, O, Pratt, E.A, Ho, C, Eisenberg, D. | Deposit date: | 2000-05-17 | Release date: | 2000-08-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of D-lactate dehydrogenase, a peripheral membrane respiratory enzyme. Proc.Natl.Acad.Sci.USA, 97, 2000
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4XR1
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2BOG
| Catalytic domain of endo-1,4-glucanase Cel6A mutant Y73S from Thermobifida fusca in complex with methyl cellobiosyl-4-thio-beta- cellobioside | Descriptor: | ENDOGLUCANASE E-2, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose-(1-4)-methyl beta-D-glucopyranoside | Authors: | Larsson, A.M, Bergfors, T, Dultz, E, Irwin, D.C, Roos, A, Driguez, H, Wilson, D.B, Jones, T.A. | Deposit date: | 2005-04-10 | Release date: | 2005-10-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Crystal Structure of Thermobifida Fusca Endoglucanase Cel6A in Complex with Substrate and Inhibitor: The Role of Tyrosine Y73 in Substrate Ring Distortion. Biochemistry, 44, 2005
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1F1H
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2YEN
| Solution structure of the skeletal muscle and neuronal voltage gated sodium channel antagonist mu-conotoxin CnIIIC | Descriptor: | Mu-conotoxin CnIIIC | Authors: | Favreau, P, Benoit, E, Hocking, H.G, Carlier, L, D'hoedt, D, Leipold, E, Markgraf, R, Schlumberger, S, Cordova, M.A, Gaertner, H, Paolini-Bertrand, M, Hartley, O, Tytgat, J, Heinemann, S.H, Bertrand, D, Boelens, R, Stocklin, R, Molgo, J. | Deposit date: | 2011-03-28 | Release date: | 2012-02-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | A Novel Mu-Conopeptide, Cniiic, Exerts Potent and Preferential Inhibition of Na(V) 1.2/1.4 Channels and Blocks Neuronal Nicotinic Acetylcholine Receptors. Br.J.Pharmacol., 166, 2012
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5F0H
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 28 at 1.99A resolution | Descriptor: | 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide, HTH-type transcriptional regulator EthR | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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2BXT
| Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker | Descriptor: | 6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL, ALPHA THROMBIN, HIRUDIN VARIANT-2 | Authors: | Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A. | Deposit date: | 2005-07-27 | Release date: | 2006-10-26 | Last modified: | 2016-12-21 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker Lett.Drug Des.Discovery, 3, 2006
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5F1J
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 1 at 1.63A resolution | Descriptor: | 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one, HTH-type transcriptional regulator EthR | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-30 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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2Y9P
| Pex4p-Pex22p mutant II structure | Descriptor: | PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | Authors: | Williams, C, van den Berg, M, Panjikar, S, Distel, B, Wilmanns, M. | Deposit date: | 2011-02-16 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Pex4P-Pex22P Structure To be Published
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2BSR
| Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705 | Descriptor: | BETA-2-MICROGLOBULIN, EPSTEIN-BARR NUCLEAR ANTIGEN-6, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Stewart-Jones, G.B.E, Di Gleria, K, Kollnberger, S, Mcmichael, A.J, Jones, E.Y, Bowness, P. | Deposit date: | 2005-05-23 | Release date: | 2005-05-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures and Kir3Dl1 Recognition of Three Immunodominant Viral Peptides Complexed to Hla-B2705 Eur.J.Immunol., 35, 2005
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1BJT
| TOPOISOMERASE II RESIDUES 409-1201 | Descriptor: | TOPOISOMERASE II | Authors: | Fass, D, Bogden, C.E, Berger, J.M. | Deposit date: | 1998-06-29 | Release date: | 1999-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Quaternary changes in topoisomerase II may direct orthogonal movement of two DNA strands. Nat.Struct.Biol., 6, 1999
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2BTC
| BOVINE TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II) | Descriptor: | CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN) | Authors: | Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O. | Deposit date: | 1998-12-11 | Release date: | 2000-01-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes. Acta Crystallogr.,Sect.D, 55, 1999
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1F5R
| RAT TRYPSINOGEN MUTANT COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR | Descriptor: | CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, TRYPSIN II, ... | Authors: | Pasternak, A, White, A, Cahoon, M, Ringe, D, Hedstrom, L. | Deposit date: | 2000-06-15 | Release date: | 2001-07-04 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity. Protein Sci., 10, 2001
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2BSS
| Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705 | Descriptor: | BETA-2-MICROGLOBULIN, HIV PEPTIDE, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN B-27 ALPHA CHAIN | Authors: | Stewart-Jones, G.B.E, Di Gleria, K, Kollnberger, S, Mcmichael, A.J, Jones, E.Y, Bowness, P. | Deposit date: | 2005-05-23 | Release date: | 2005-05-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures and Kir3Dl1 Recognition of Three Immunodominant Viral Peptides Complexed to Hla-B2705 Eur.J.Immunol., 35, 2005
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2Z2N
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1F52
| CRYSTAL STRUCTURE OF GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM CO-CRYSTALLIZED WITH ADP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE SYNTHETASE, ... | Authors: | Gill, H.S, Pfluegl, G.M.U, Eisenberg, D. | Deposit date: | 2000-06-12 | Release date: | 2000-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The crystal structure of phosphinothricin in the active site of glutamine synthetase illuminates the mechanism of enzymatic inhibition. Biochemistry, 40, 2001
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1F6O
| CRYSTAL STRUCTURE OF THE HUMAN AAG DNA REPAIR GLYCOSYLASE COMPLEXED WITH DNA | Descriptor: | 3-METHYL-ADENINE DNA GLYCOSYLASE, DNA (5'-D(*GP*AP*CP*AP*TP*GP*(YRR)P*TP*TP*GP*CP*CP*T)-3'), DNA (5'-D(*GP*GP*CP*AP*AP*TP*CP*AP*TP*GP*TP*CP*A)-3'), ... | Authors: | Lau, A.Y, Wyatt, M.D, Glassner, B.J, Samson, L.D, Ellenberger, T. | Deposit date: | 2000-06-22 | Release date: | 2000-12-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for discriminating between normal and damaged bases by the human alkyladenine glycosylase, AAG. Proc.Natl.Acad.Sci.USA, 97, 2000
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1F5W
| DIMERIC STRUCTURE OF THE COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR D1 DOMAIN | Descriptor: | COXSACKIE VIRUS AND ADENOVIRUS RECEPTOR, SULFATE ION | Authors: | van Raaij, M.J, Chouin, E, van der Zandt, H, Bergelson, J.M, Cusack, S. | Deposit date: | 2000-06-18 | Release date: | 2000-11-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Dimeric structure of the coxsackievirus and adenovirus receptor D1 domain at 1.7 A resolution. Structure Fold.Des., 8, 2000
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2Z2P
| Crystal Structure of catalytically inactive H270A virginiamycin B lyase from Staphylococcus aureus with Quinupristin | Descriptor: | 5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE, MAGNESIUM ION, Quinupristin, ... | Authors: | Korczynska, M, Berghuis, A.M. | Deposit date: | 2007-05-25 | Release date: | 2007-06-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for Streptogramin B Resistance in Staphylococcus Aureus by Virginiamycin B Lyase Proc.Natl.Acad.Sci.USA, 104, 2007
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5IUQ
| Galectin-3c in complex with Bisamido-thiogalactoside derivative 4 | Descriptor: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside, Galectin-3 | Authors: | Noresson, A.-L, Aurelius, O, Oberg, C.T, Engstrom, O, Sundin, A.P, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | Deposit date: | 2016-03-18 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.121 Å) | Cite: | Controlling protein:ligand complex conformation through tuning of arginine-arene interactions: Synthetic and structural studies with 3-benzamido-2-sulfo-galactosides as galectin-3 ligands To Be Published
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1F77
| STAPHYLOCOCCAL ENTEROTOXIN H DETERMINED TO 2.4 A RESOLUTION | Descriptor: | ENTEROTOXIN H, SULFATE ION | Authors: | Hakansson, M, Petersson, K, Nilsson, H, Forsberg, G, Bjork, P. | Deposit date: | 2000-06-26 | Release date: | 2000-07-19 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of staphylococcal enterotoxin H: implications for binding properties to MHC class II and TcR molecules. J.Mol.Biol., 302, 2000
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5F0C
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 4 at 1.87A resolution | Descriptor: | 3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide, HTH-type transcriptional regulator EthR, SULFATE ION | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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6F0K
| Alternative complex III | Descriptor: | ActD, ActF, ActH, ... | Authors: | Sousa, J.S, Calisto, F, Mills, D.J, Pereira, M.M, Vonck, J, Kuehlbrandt, W. | Deposit date: | 2017-11-20 | Release date: | 2018-05-09 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Structural basis for energy transduction by respiratory alternative complex III. Nat Commun, 9, 2018
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