1TXR
 
 | | X-ray crystal structure of bestatin bound to AAP | | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, Bacterial leucyl aminopeptidase, ZINC ION | | Authors: | Stamper, C.C, Holz, R.C, Ringe, D, Petsko, G.A. | | Deposit date: | 2004-07-06 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Spectroscopic and X-ray Crystallographic Characterization of Bestatin Bound to the Aminopeptidase from Aeromonas (Vibrio) proteolytica.
Biochemistry, 43, 2004
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1CX2
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4MEO
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-methyl-quinoline ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
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2GWX
 | | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | | Descriptor: | PROTEIN (PPAR-DELTA) | | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. | | Deposit date: | 1999-03-11 | | Release date: | 2000-03-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
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2Z6K
 | | Crystal structure of full-length human RPA14/32 heterodimer | | Descriptor: | Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit | | Authors: | Deng, X, Habel, J.E, Kabaleeswaran, V, Borgstahl, G.E. | | Deposit date: | 2007-08-03 | | Release date: | 2007-12-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the Full-length Human RPA14/32 Complex Gives Insights into the Mechanism of DNA Binding and Complex Formation
J.Mol.Biol., 374, 2007
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3HPI
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3RG1
 | | Crystal structure of the RP105/MD-1 complex | | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, CD180 molecule, LY86 protein, ... | | Authors: | Yoon, S.I, Hong, M, Wilson, I.A. | | Deposit date: | 2011-04-07 | | Release date: | 2011-08-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | An unusual dimeric structure and assembly for TLR4 regulator RP105-MD-1.
Nat.Struct.Mol.Biol., 18, 2011
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1XJA
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1CYJ
 | | CYTOCHROME C6 | | Descriptor: | CADMIUM ION, CYTOCHROME C6, HEME C | | Authors: | Kerfeld, C.A, Yeates, T.O. | | Deposit date: | 1995-05-09 | | Release date: | 1996-01-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of chloroplast cytochrome c6 at 1.9 A resolution: evidence for functional oligomerization.
J.Mol.Biol., 250, 1995
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2H79
 | | Crystal Structure of human TR alpha bound T3 in orthorhombic space group | | Descriptor: | 3,5,3'TRIIODOTHYRONINE, THRA protein | | Authors: | Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Bleicher, L, Ambrosio, A.L.B, Figueira, A.C.M, Santos, M.A.M, Neto, M.O, Fischer, H, Togashi, H.F.M, Craievich, A.F, Garrat, R.C, Baxter, J.D, Webb, P, Polikarpov, I. | | Deposit date: | 2006-06-01 | | Release date: | 2006-07-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function.
J.Mol.Biol., 360, 2006
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1CYI
 | | CYTOCHROME C6 | | Descriptor: | CADMIUM ION, CYTOCHROME C6, HEME C | | Authors: | Kerfeld, C.A, Yeates, T.O. | | Deposit date: | 1995-05-09 | | Release date: | 1996-01-29 | | Last modified: | 2021-03-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of chloroplast cytochrome c6 at 1.9 A resolution: evidence for functional oligomerization.
J.Mol.Biol., 250, 1995
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1DIB
 | | HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY345899 | | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | | Deposit date: | 1999-11-29 | | Release date: | 2000-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase.
Biochemistry, 39, 2000
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2HS0
 | | T. maritima PurL complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase II | | Authors: | Ealick, S.E, Morar, M. | | Deposit date: | 2006-07-20 | | Release date: | 2007-01-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
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2HRY
 | | T. maritima PurL complexed with AMPPCP | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Ealick, S.E, Morar, M. | | Deposit date: | 2006-07-20 | | Release date: | 2007-01-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase from Thermotoga maritima Describe a Novel ATP Binding Protein Superfamily
Biochemistry, 45, 2006
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4HBI
 | | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, DEOXY FORM | | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Royer Junior, W.E. | | Deposit date: | 1998-06-24 | | Release date: | 1998-11-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
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6KZX
 | | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | | Descriptor: | 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | | Authors: | Mima, M, Takeuchi, T, Ushiyama, F. | | Deposit date: | 2019-09-25 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
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6DTT
 | | Apo T. maritima MalE2 | | Descriptor: | maltose-binding protein MalE2 | | Authors: | Cuneo, M.J, Shukla, S. | | Deposit date: | 2018-06-18 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
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6DTU
 | | Maltotetraose bound T. maritima MalE1 | | Descriptor: | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE1 | | Authors: | Cuneo, M.J, Shukla, S. | | Deposit date: | 2018-06-18 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
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6L11
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | Descriptor: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1 | | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | Deposit date: | 2019-09-27 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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3W8S
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4E7G
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6L01
 | | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | | Descriptor: | 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B | | Authors: | Mima, M, Takeuchi, T, Ushiyama, F. | | Deposit date: | 2019-09-25 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation.
Acs Omega, 5, 2020
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5X19
 | | CO bound cytochrome c oxidase at 100 micro sec after pump laser irradiation to release CO from O2 reduction center | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | | Deposit date: | 2017-01-25 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase.
Sci Adv, 3, 2017
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1HPK
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1YSL
 | | Crystal structure of HMG-CoA synthase from Enterococcus faecalis with AcetoAcetyl-CoA ligand. | | Descriptor: | ACETOACETIC ACID, COENZYME A, GLYCEROL, ... | | Authors: | Steussy, C.N, Vartia, A.A, Burgner II, J.W, Sutherlin, A, Rodwell, V.W, Stauffacher, C.V. | | Deposit date: | 2005-02-08 | | Release date: | 2005-11-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-ray Crystal Structures of HMG-CoA Synthase from Enterococcus faecalis and a Complex with Its Second Substrate/Inhibitor Acetoacetyl-CoA.
Biochemistry, 44, 2005
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