1W48
 
 | | P4 protein from Bacteriophage PHI12 in complex with AMPcPP | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, NTPASE P4 | | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2004-07-22 | | Release date: | 2004-10-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
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1NPZ
 | | Crystal structures of Cathepsin S inhibitor complexes | | Descriptor: | Cathepsin S, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide | | Authors: | Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Seddon, A.P, Menard, R, Cygler, M, Rath, V.L. | | Deposit date: | 2003-01-20 | | Release date: | 2003-04-15 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Specificity determinants of human cathepsin s revealed
by crystal structures of complexes.
Biochemistry, 42, 2003
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1W4A
 | | P4 protein from PHI12 in complex with AMPcPP and Mn | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MANGANESE (II) ION, NTPASE P4 | | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | | Deposit date: | 2004-07-22 | | Release date: | 2004-10-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
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1RIQ
 | | The crystal structure of the catalytic fragment of the alanyl-tRNA synthetase | | Descriptor: | Alanyl-tRNA synthetase | | Authors: | Swairjo, M.A, Otero, F.J, Yang, X.-L, Lovato, M.A, Skene, R.J, McRee, D.E, Ribas de Pouplana, L, Schimmel, P. | | Deposit date: | 2003-11-17 | | Release date: | 2004-04-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Alanyl-tRNA Synthetase Crystal Structure and Design for Acceptor-Stem Recognition
Mol.Cell, 13, 2004
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1CCB
 | | THE ASP-HIS-FE TRIAD OF CYTOCHROME C PEROXIDASE CONTROLS THE REDUCTION POTENTIAL, ELECTRONIC STRUCTURE, AND COUPLING OF THE TRYPTOPHAN FREE-RADICAL TO THE HEME | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Goodin, D.B, Mcree, D.E. | | Deposit date: | 1993-01-04 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Asp-His-Fe triad of cytochrome c peroxidase controls the reduction potential, electronic structure, and coupling of the tryptophan free radical to the heme.
Biochemistry, 32, 1993
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1CCC
 | | THE ASP-HIS-FE TRIAD OF CYTOCHROME C PEROXIDASE CONTROLS THE REDUCTION POTENTIAL, ELECTRONIC STRUCTURE, AND COUPLING OF THE TRYPTOPHAN FREE-RADICAL TO THE HEME | | Descriptor: | CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Goodin, D.B, Mcree, D.E. | | Deposit date: | 1993-01-04 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Asp-His-Fe triad of cytochrome c peroxidase controls the reduction potential, electronic structure, and coupling of the tryptophan free radical to the heme.
Biochemistry, 32, 1993
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1RO9
 | | CRYSTAL STRUCTURES OF THE CATALYTIC DOMAIN OF PHOSPHODIESTERASE 4B2B COMPLEXED WITH 8-Br-AMP | | Descriptor: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4B | | Authors: | Xu, R.X, Rocque, W.J, Lambert, M.H, Vanderwall, D.E, Nolte, R.T. | | Deposit date: | 2003-12-01 | | Release date: | 2004-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram.
J.Mol.Biol., 337, 2004
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6O9X
 | | Structure of human PARG complexed with JA2-4 | | Descriptor: | 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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6OA1
 | | Structure of human PARG complexed with JA2120 | | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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1AEK
 | | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (INDOLINE) | | Descriptor: | CYTOCHROME C PEROXIDASE, INDOLINE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
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1ONM
 | | Solution Structure of a DNA duplex containing A:G mismatch. d(GCTTCAGTCGT):d(ACGACGGAAGC) | | Descriptor: | 5'-D(*AP*CP*GP*AP*CP*GP*GP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*CP*AP*GP*TP*CP*GP*T)-3' | | Authors: | Sanchez, A.M, Volk, D.E, Gorenstein, D.G, Lloyd, R.S. | | Deposit date: | 2003-02-28 | | Release date: | 2003-11-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Initiation of repair of A/G mismatches is modulated by sequence context
DNA REPAIR, 2, 2003
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1YYT
 | | D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4R)-7-azabisabolene | | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-02-25 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
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1AEN
 | | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINO-5-METHYLTHIAZOLE) | | Descriptor: | 2-AMINO-5-METHYLTHIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Bunte, S.W, Rosenfeld, R, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
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1DT6
 | | STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5 | | Descriptor: | CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ... | | Authors: | Williams, P.A, Cosme, J, Sridhar, V, Johnson, E.F, McRee, D.E. | | Deposit date: | 2000-01-11 | | Release date: | 2000-09-27 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.
Mol.Cell, 5, 2000
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1Z8G
 | | Crystal structure of the extracellular region of the transmembrane serine protease hepsin with covalently bound preferred substrate. | | Descriptor: | ACE-LYS-GLN-LEU-ARG-Chloromethylketone, Serine protease hepsin | | Authors: | Herter, S, Piper, D.E, Aaron, W, Gabriele, T, Cutler, G, Cao, P, Bhatt, A.S, Choe, Y, Craik, C.S, Walker, N, Meininger, D, Hoey, T, Austin, R.J. | | Deposit date: | 2005-03-30 | | Release date: | 2005-05-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Hepatocyte growth factor is a preferred in vitro substrate for human hepsin, a membrane-anchored serine protease implicated in prostate and ovarian cancers
Biochem.J., 390, 2005
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1P31
 | | Crystal Structure of UDP-N-acetylmuramic acid:L-alanine Ligase (MurC) from Haemophilus influenzae | | Descriptor: | MAGNESIUM ION, UDP-N-acetylmuramate--alanine ligase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | | Authors: | Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V. | | Deposit date: | 2003-04-16 | | Release date: | 2003-07-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
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1DS4
 | | CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX, PH 6, 100K | | Descriptor: | CYTOCHROME C PEROXIDASE, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B. | | Deposit date: | 2000-01-07 | | Release date: | 2001-03-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure.
Biochemistry, 40, 2001
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1DT1
 | | THERMUS THERMOPHILUS CYTOCHROME C552 SYNTHESIZED BY ESCHERICHIA COLI | | Descriptor: | CYTOCHROME C552, HEME C | | Authors: | Fee, J.A, Chen, Y, Hill, M.J, Gomez-Moran, E, Loehr, T, Ai, J, Thony-Meyer, L, Williams, P.A, Stura, E, Sridhar, V, McRee, D.E. | | Deposit date: | 2000-01-10 | | Release date: | 2000-02-18 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Integrity of thermus thermophilus cytochrome c552 synthesized by Escherichia coli cells expressing the host-specific cytochrome c maturation genes, ccmABCDEFGH: biochemical, spectral, and structural characterization of the recombinant protein.
Protein Sci., 9, 2000
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1P3D
 | | Crystal Structure of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) in Complex with UMA and ANP. | | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UDP-N-acetylmuramate--alanine ligase, ... | | Authors: | Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V. | | Deposit date: | 2003-04-17 | | Release date: | 2003-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
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1TC6
 | | Ligand Induced Conformational Shift in the N-terminal Domain of GRP94, Open Conformation ADP-Complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Endoplasmin, MAGNESIUM ION, ... | | Authors: | Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L. | | Deposit date: | 2004-05-20 | | Release date: | 2004-08-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
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1AEJ
 | | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (1-VINYLIMIDAZOLE) | | Descriptor: | 1-VINYLIMIDAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-25 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
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1AEH
 | | SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (2-AMINO-4-METHYLTHIAZOLE) | | Descriptor: | 2-AMINO-4-METHYLTHIAZOLE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Musah, R.A, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B. | | Deposit date: | 1997-02-24 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
J.Mol.Biol., 315, 2002
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1ZNO
 | | Crystal Structure of VC702 from Vibrio Cholerae, Northeast Structural Genomics Consortium Target: VcP1 | | Descriptor: | Hypothetical UPF0244 protein VC0702, MAGNESIUM ION | | Authors: | Ni, S, Forouhar, F, Bussiere, D.E, Robinson, H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-05-11 | | Release date: | 2006-07-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of VC0702 at 2.0 A: conserved hypothetical protein from Vibrio cholerae.
Proteins, 63, 2006
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1T0A
 | | Crystal Structure of 2C-Methyl-D-Erythritol-2,4-cyclodiphosphate Synthase from Shewanella Oneidensis | | Descriptor: | 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, COBALT (II) ION, FARNESYL DIPHOSPHATE, ... | | Authors: | Ni, S, Robinson, H, Marsing, G.C, Bussiere, D.E, Kennedy, M.A. | | Deposit date: | 2004-04-08 | | Release date: | 2004-10-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Shewanella oneidensis at 1.6 A: identification of farnesyl pyrophosphate trapped in a hydrophobic cavity.
Acta Crystallogr.,Sect.D, 60, 2004
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1Y4A
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 M59R/E60S mutant | | Descriptor: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | Deposit date: | 2004-11-30 | | Release date: | 2005-05-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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