5OJY
 
 | | Co-complex structure of regulator protein 2 (PamR2) with pamamycin 607 from Streptomyces alboniger | | Descriptor: | CITRIC ACID, GLYCEROL, Pamamycin 607, ... | | Authors: | Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A. | | Deposit date: | 2017-07-24 | | Release date: | 2018-04-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
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1TDB
 | | STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M. | | Deposit date: | 1993-02-15 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate.
Biochemistry, 32, 1993
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1BJ9
 | | EFFECT OF UNNATURAL HEME SUBSTITUTION ON KINETICS OF ELECTRON TRANSFER IN CYTOCHROME C PEROXIDASE | | Descriptor: | CYTOCHROME C PEROXIDASE, [7,12-DEACETYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2-)-N21,N22,N23,N24]-IRON | | Authors: | Miller, M.A, Kraut, J. | | Deposit date: | 1998-07-03 | | Release date: | 1999-01-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Effect of Unnatural Heme Substitution on Kinetics of Electron Transfer in Cytochrome C Peroxidase
To be Published
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5OY7
 | | Structure of the 4_601_157 tetranucleosome (P1 form) | | Descriptor: | CHLORIDE ION, DNA (619-MER), Histone H2A, ... | | Authors: | Ekundayo, B, Richmond, T.J, Schalch, T. | | Deposit date: | 2017-09-07 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (5.774 Å) | | Cite: | Capturing Structural Heterogeneity in Chromatin Fibers.
J. Mol. Biol., 429, 2017
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1V54
 | | Bovine heart cytochrome c oxidase at the fully oxidized state | | 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: | Tsukihara, T, Shimokata, K, Katayama, Y, Shimada, H, Muramoto, K, Aoyama, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Yao, M, Ishimura, Y, Yoshikawa, S. | | Deposit date: | 2003-11-21 | | Release date: | 2003-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The low-spin heme of cytochrome c oxidase as the driving element of the proton-pumping process.
Proc.Natl.Acad.Sci.Usa, 100, 2003
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1T7J
 | | crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant of HIV-1 protease (L63P/V82T/I84V) | | Descriptor: | ACETATE ION, Pol Polyprotein, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | Authors: | King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A. | | Deposit date: | 2004-05-10 | | Release date: | 2005-05-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
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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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2CHN
 | | Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex | | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CALCIUM ION, GLUCOSAMINIDASE, ... | | Authors: | Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J. | | Deposit date: | 2006-03-15 | | Release date: | 2006-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
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1Q8A
 | | Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima (Cd2+:L-Hcy complex, Se-Met) | | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydrofolate S-homocysteine methyltransferase, CADMIUM ION | | Authors: | Evans, J.C, Huddler, D.P, Hilgers, M.T, Romanchuk, G, Matthews, R.G, Ludwig, M.L. | | Deposit date: | 2003-08-20 | | Release date: | 2004-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1TEZ
 | | COMPLEX BETWEEN DNA AND THE DNA PHOTOLYASE FROM ANACYSTIS NIDULANS | | Descriptor: | 5'-D(*AP*TP*CP*GP*GP*CP*T*(TCP)P*CP*GP*C)-3', 5'-D(*TP*CP*GP*C)-3', 5'-D(P*CP*GP*AP*AP*GP*CP*CP*GP*A)-3', ... | | Authors: | Essen, L.-O, Carell, T, Mees, A, Klar, T. | | Deposit date: | 2004-05-26 | | Release date: | 2004-12-14 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a photolyase bound to a CPD-like DNA lesion after in situ repair
Science, 306, 2004
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1AXO
 | | STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC) | | Authors: | Feng, B, Gorin, A.A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J. | | Deposit date: | 1997-10-16 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural alignment of the (+)-trans-anti-benzo[a]pyrene-dG adduct positioned opposite dC at a DNA template-primer junction.
Biochemistry, 36, 1997
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2CVD
 | | Crystal structure analysis of human hematopoietic prostaglandin D synthase complexed with HQL-79 | | Descriptor: | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE, GLUTATHIONE, GLYCEROL, ... | | Authors: | Aritake, K, Kado, Y, Inoue, T, Miyano, M, Urade, Y. | | Deposit date: | 2005-06-02 | | Release date: | 2006-04-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and Functional Characterization of HQL-79, an Orally Selective Inhibitor of Human Hematopoietic Prostaglandin D Synthase.
J.Biol.Chem., 281, 2006
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1T4E
 | | Structure of Human MDM2 in complex with a Benzodiazepine Inhibitor | | Descriptor: | (4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID, Ubiquitin-protein ligase E3 Mdm2 | | Authors: | Grasberger, B.L, Schubert, C, Koblish, H.K, Carver, T.E, Franks, C.F, Zhao, S.Y, Lu, T, LaFrance, L.V, Parks, D.J. | | Deposit date: | 2004-04-29 | | Release date: | 2005-02-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells
J.Med.Chem., 48, 2005
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2EXA
 | | Crystal structure of penicillin binding protein 4 (dacB) from Escherichia coli, complexed with FAROM | | Descriptor: | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4 | | Authors: | Kishida, H, Unzai, S, Roper, D.I, Lloyd, A, Park, S.-Y, Tame, J.R.H. | | Deposit date: | 2005-11-08 | | Release date: | 2006-06-13 | | Last modified: | 2016-10-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of penicillin binding protein 4 (dacB) from Escherichia coli, both in the native form and covalently linked to various antibiotics
Biochemistry, 45, 2006
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2F3F
 | | Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor | | Descriptor: | (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1 | | Authors: | Rondeau, J.-M. | | Deposit date: | 2005-11-21 | | Release date: | 2006-09-05 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).
J.Med.Chem., 49, 2006
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2CB8
 | | High resolution crystal structure of liganded human L-ACBP | | Descriptor: | 2-METHOXYETHANOL, ACYL-COA-BINDING PROTEIN, SULFATE ION, ... | | Authors: | Taskinen, J.P, van Aalten, D.M, Knudsen, J, Wierenga, R.K. | | Deposit date: | 2006-01-03 | | Release date: | 2006-10-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High Resolution Crystal Structures of Unliganded and Liganded Human Liver Acbp Reveal a New Mode of Binding for the Acyl-Coa Ligand.
Proteins: Struct., Funct., Bioinf., 66, 2007
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1U2Y
 | | In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure containing D-gluconhydroximo-1,5-lactam | | Descriptor: | (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | Authors: | Numao, S, Li, C, Damager, I, Wrodnigg, T.M, Begum, A, Overall, C.M, Brayer, G.D, Withers, S.G. | | Deposit date: | 2004-07-20 | | Release date: | 2004-09-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | In Situ Extension as an Approach for Identifying Novel alpha-Amylase Inhibitors.
J.Biol.Chem., 279, 2004
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2HUB
 | | Structure of Hen Egg-White Lysozyme Determined from crystals grown in pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D(-)-TARTARIC ACID, ... | | Authors: | Frolow, F, Lagziel-Simis, S, Cohen-Hadar, N, Wine, Y, Freeman, A. | | Deposit date: | 2006-07-26 | | Release date: | 2007-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.201 Å) | | Cite: | Monitoring influence of pH on the molecular and crystal structure of hen egg-white tetragonal lysozyme
To be Published
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1UUX
 | | Structure of a molybdopterin-bound cnx1g domain links molybdenum and copper metabolism | | Descriptor: | COPPER (I) ION, FORMIC ACID, IMIDAZOLE, ... | | Authors: | Kuper, J, Llamas, A, Hecht, H.J, Mendel, R.R, Schwarz, G. | | Deposit date: | 2004-01-12 | | Release date: | 2004-08-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of a Molybdopterin-Bound Cnx1G Domain Links Molybdenum and Copper Metabolism
Nature, 430, 2004
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1UPD
 | | Oxidized STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6 | | Descriptor: | CYTOCHROME C3, HEME C | | Authors: | Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A. | | Deposit date: | 2003-09-29 | | Release date: | 2004-09-30 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004
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1UUY
 | | Structure of a molybdopterin-bound cnx1g domain links molybdenum and copper metabolism | | Descriptor: | ADENOSINE MONOPHOSPHATE, COPPER (I) ION, FORMIC ACID, ... | | Authors: | Kuper, J, Llamas, A, Hecht, H.J, Mendel, R.R, Schwarz, G. | | Deposit date: | 2004-01-12 | | Release date: | 2004-08-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of a Molybdopterin-Bound Cnx1G Domain Links Molybdenum and Copper Metabolism
Nature, 430, 2004
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2A6U
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1UP9
 | | REDUCED STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6 | | Descriptor: | CYTOCHROME C3, HEME C, SULFATE ION | | Authors: | Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A. | | Deposit date: | 2003-09-29 | | Release date: | 2004-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004
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1DSA
 | | (+)-DUOCARMYCIN SA COVALENTLY LINKED TO DUPLEX DNA, NMR, 20 STRUCTURES | | Descriptor: | 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3') | | Authors: | Eis, P.S, Smith, J.A, Case, D.A, Chazin, W.J. | | Deposit date: | 1997-05-08 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High resolution solution structure of a DNA duplex alkylated by the antitumor agent duocarmycin SA.
J.Mol.Biol., 272, 1997
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1DSI
 | | Solution structure of a duocarmycin sa-indole-alkylated dna dupleX | | Descriptor: | 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3') | | Authors: | Schnell, J.R, Ketchem, R.R, Boger, D.L, Chazin, W.J. | | Deposit date: | 1998-07-29 | | Release date: | 1998-08-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Binding-Induced Activation of DNA Alkylation by Duocarmycin SA: Insights from the Structure of an Indole Derivative-DNA Adduct
J.Am.Chem.Soc., 121, 1999
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