1DKF
| CRYSTAL STRUCTURE OF A HETERODIMERIC COMPLEX OF RAR AND RXR LIGAND-BINDING DOMAINS | Descriptor: | 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, OLEIC ACID, PROTEIN (RETINOIC ACID RECEPTOR-ALPHA), ... | Authors: | Bourguet, W, Vivat, V, Wurtz, J.M, Chambon, P, Gronemeyer, H, Moras, D, Structural Proteomics in Europe (SPINE) | Deposit date: | 1999-12-07 | Release date: | 2000-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a heterodimeric complex of RAR and RXR ligand-binding domains. Mol.Cell, 5, 2000
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1DDK
| CRYSTAL STRUCTURE OF IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA | Descriptor: | ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, ZINC ION | Authors: | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | Deposit date: | 1999-11-10 | Release date: | 2000-11-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor. Biochemistry, 39, 2000
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7TSV
| Room temperature rsEospa Trans-state structure at pH 5.5 | Descriptor: | Trans-state rsEospa | Authors: | Baxter, J.M, van Thor, J.J. | Deposit date: | 2022-01-31 | Release date: | 2023-01-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Observation of Cation Chromophore Photoisomerization of a Fluorescent Protein Using Millisecond Synchrotron Serial Crystallography and Infrared Vibrational and Visible Spectroscopy. J.Phys.Chem.B, 126, 2022
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1DFP
| FACTOR D INHIBITED BY DIISOPROPYL FLUOROPHOSPHATE | Descriptor: | DIISOPROPYL PHOSPHONATE, FACTOR D | Authors: | Cole, L.B, Chu, N, Kilpatrick, J.M, Volanakis, J.E, Narayana, S.V.L, Babu, Y.S. | Deposit date: | 1997-02-18 | Release date: | 1998-02-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of diisopropyl fluorophosphate-inhibited factor D. Acta Crystallogr.,Sect.D, 53, 1997
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1DL8
| CRYSTAL STRUCTURE OF 5-F-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE BOUND TO D(CGTACG)2 | Descriptor: | 5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-4-CARBOXAMIDE, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | Authors: | Adams, A, Guss, J.M, Collyer, C.A, Denny, W.A, Wakelin, L.P. | Deposit date: | 1999-12-08 | Release date: | 2000-10-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Acridinecarboxamide topoisomerase poisons: structural and kinetic studies of the DNA complexes of 5-substituted 9-amino-(N-(2-dimethylamino)ethyl)acridine-4-carboxamides. Mol.Pharmacol., 58, 2000
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7TJF
| S. cerevisiae ORC bound to 84 bp ARS1 DNA | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA, 84 bp ARS1, ... | Authors: | Schmidt, J.M, Yang, R, Kumar, A, Hunker, O, Bleichert, F. | Deposit date: | 2022-01-16 | Release date: | 2023-01-18 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | A mechanism of origin licensing control through autoinhibition of S. cerevisiae ORC·DNA·Cdc6. Nat Commun, 13, 2022
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1DG2
| SOLUTION CONFORMATION OF A-CONOTOXIN AUIB | Descriptor: | A-CONOTOXIN AUIB | Authors: | Cho, J.-H, Mok, K.H, Olivera, B.M, McIntosh, J.M, Park, K.-H, Han, K.-H. | Deposit date: | 1999-11-23 | Release date: | 2000-02-25 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance solution conformation of alpha-conotoxin AuIB, an alpha(3)beta(4) subtype-selective neuronal nicotinic acetylcholine receptor antagonist. J.Biol.Chem., 275, 2000
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1DD6
| IMP-1 METALLO BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH A MERCAPTOCARBOXYLATE INHIBITOR | Descriptor: | (2-MERCAPTOMETHYL-4-PHENYL-BUTYRYLIMINO)-(5-TETRAZOL-1-YLMETHYL-THIOPHEN-2-YL)-ACETIC ACID, IMP-1 METALLO BETA-LACTAMASE, SULFATE ION, ... | Authors: | Concha, N.O, Janson, C.A, Rowling, P, Pearson, S, Cheever, C.A, Clarke, B.P, Lewis, C, Galleni, M, Frere, J.M, Payne, D.J, Bateson, J.H, Abdel-Meguid, S.S. | Deposit date: | 1999-11-08 | Release date: | 2000-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor. Biochemistry, 39, 2000
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1DB1
| CRYSTAL STRUCTURE OF THE NUCLEAR RECEPTOR FOR VITAMIN D COMPLEXED TO VITAMIN D | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, VITAMIN D NUCLEAR RECEPTOR | Authors: | Rochel, N, Wurtz, J.M, Mitschler, A, Klaholz, B, Moras, D. | Deposit date: | 1999-11-02 | Release date: | 2000-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of the nuclear receptor for vitamin D bound to its natural ligand. Mol.Cell, 5, 2000
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1DD9
| STRUCTURE OF THE DNAG CATALYTIC CORE | Descriptor: | DNA PRIMASE, STRONTIUM ION | Authors: | Keck, J.L, Roche, D.D, Lynch, A.S, Berger, J.M. | Deposit date: | 1999-11-09 | Release date: | 2000-04-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the RNA polymerase domain of E. coli primase. Science, 287, 2000
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1DGP
| ARISTOLOCHENE SYNTHASE FARNESOL COMPLEX | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, ARISTOLOCHENE SYNTHASE | Authors: | Caruthers, J.M, Kang, I, Cane, D.E, Christianson, D.W. | Deposit date: | 1999-11-24 | Release date: | 2001-02-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure determination of aristolochene synthase from the blue cheese mold, Penicillium roqueforti. J.Biol.Chem., 275, 2000
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5QD2
| Crystal structure of BACE complex with BMC017 | Descriptor: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(methoxymethyl)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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1DCW
| STRUCTURE OF A FOUR-WAY JUNCTION IN AN INVERTED REPEAT SEQUENCE. | Descriptor: | DNA (5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3'), SODIUM ION | Authors: | Eichman, B.F, Vargason, J.M, Mooers, B.H.M, Ho, P.S. | Deposit date: | 1999-11-05 | Release date: | 2000-04-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Holliday junction in an inverted repeat DNA sequence: sequence effects on the structure of four-way junctions. Proc.Natl.Acad.Sci.USA, 97, 2000
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1DDB
| STRUCTURE OF MOUSE BID, NMR, 20 STRUCTURES | Descriptor: | PROTEIN (BID) | Authors: | Mcdonnell, J.M, Fushman, D, Milliman, C, Korsmeyer, S.J, Cowburn, D. | Deposit date: | 1999-02-19 | Release date: | 1999-08-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the proapoptotic molecule BID: a structural basis for apoptotic agonists and antagonists. Cell(Cambridge,Mass.), 96, 1999
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5QDA
| Crystal structure of BACE complex with BMC013 | Descriptor: | (4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-18-methoxy-3,15,17-triazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaen-2-one, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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5QCO
| Crystal structure of BACE complex with BMC016 | Descriptor: | (4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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7UDZ
| Designed pentameric proton channel LQLL | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL | Authors: | Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F. | Deposit date: | 2022-03-20 | Release date: | 2022-04-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Transient water wires mediate selective proton transport in designed channel proteins. Nat.Chem., 15, 2023
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5QDD
| Crystal structure of BACE complex with BMC020 hydrolyzed | Descriptor: | (10R,12S)-12-[(1R)-1,2-dihydroxyethyl]-N,N,10-trimethyl-14-oxo-2-oxa-13-azabicyclo[13.3.1]nonadeca-1(19),15,17-triene-17-carboxamide, Beta-secretase 1, GLYCEROL | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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1DI2
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5QD3
| Crystal structure of BACE complex with BMC010 | Descriptor: | (10R,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one, Beta-secretase 1 | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-12-01 | Release date: | 2020-06-03 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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1DKI
| CRYSTAL STRUCTURE OF THE ZYMOGEN FORM OF STREPTOCOCCAL PYROGENIC EXOTOXIN B ACTIVE SITE (C47S) MUTANT | Descriptor: | PYROGENIC EXOTOXIN B ZYMOGEN, SULFATE ION | Authors: | Kagawa, T.F, Cooney, J.C, Baker, H.M, McSweeney, S, Liu, M, Gubba, S, Musser, J.M, Baker, E.N. | Deposit date: | 1999-12-07 | Release date: | 2000-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the zymogen form of the group A Streptococcus virulence factor SpeB: an integrin-binding cysteine protease. Proc.Natl.Acad.Sci.USA, 97, 2000
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1DML
| CRYSTAL STRUCTURE OF HERPES SIMPLEX UL42 BOUND TO THE C-TERMINUS OF HSV POL | Descriptor: | DNA POLYMERASE, DNA POLYMERASE PROCESSIVITY FACTOR | Authors: | Zuccola, H.J, Filman, D.J, Coen, D.M, Hogle, J.M. | Deposit date: | 1999-12-14 | Release date: | 2000-03-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure of an unusual processivity factor, herpes simplex virus UL42, bound to the C terminus of its cognate polymerase. Mol.Cell, 5, 2000
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1DSX
| KV1.2 T1 DOMAIN, RESIDUES 33-119, T46V MUTANT | Descriptor: | PROTEIN (KV1.2 VOLTAGE-GATED POTASSIUM CHANNEL) | Authors: | Minor Jr, D.L, Lin, Y.-F, Mobley, B.C, Avelar, A, Jan, Y.N, Jan, L.Y, Berger, J.M. | Deposit date: | 2000-01-10 | Release date: | 2000-09-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The polar T1 interface is linked to conformational changes that open the voltage-gated potassium channel. Cell(Cambridge,Mass.), 102, 2000
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1DL5
| PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE | Descriptor: | CADMIUM ION, CHLORIDE ION, PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE, ... | Authors: | Skinner, M.M, Puvathingal, J.M, Walter, R.L, Friedman, A.M. | Deposit date: | 1999-12-08 | Release date: | 2000-12-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of protein isoaspartyl methyltransferase: a catalyst for protein repair. Structure Fold.Des., 8, 2000
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3IZG
| Bacteriophage T7 prohead shell EM-derived atomic model | Descriptor: | Major capsid protein 10A | Authors: | Ionel, A, Velazquez-Muriel, J.A, Agirrezabala, X, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L. | Deposit date: | 2010-10-27 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (10.9 Å) | Cite: | Molecular rearrangements involved in the capsid shell maturation of bacteriophage T7. J.Biol.Chem., 286, 2011
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