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5OJY
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Co-complex structure of regulator protein 2 (PamR2) with pamamycin 607 from Streptomyces alboniger
分子名称: CITRIC ACID, GLYCEROL, Pamamycin 607, ...
著者Schmelz, S, Rebets, Y, Luzhetskyy, A, Scrima, A.
登録日2017-07-24
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Design, development and application of whole-cell based antibiotic-specific biosensor.
Metab. Eng., 47, 2018
1TDB
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BU of 1tdb by Molmil
STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
著者Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M.
登録日1993-02-15
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献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
1BJ9
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EFFECT OF UNNATURAL HEME SUBSTITUTION ON KINETICS OF ELECTRON TRANSFER IN CYTOCHROME C PEROXIDASE
分子名称: CYTOCHROME C PEROXIDASE, [7,12-DEACETYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPROPANOATO(2-)-N21,N22,N23,N24]-IRON
著者Miller, M.A, Kraut, J.
登録日1998-07-03
公開日1999-01-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Effect of Unnatural Heme Substitution on Kinetics of Electron Transfer in Cytochrome C Peroxidase
To be Published
5OY7
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BU of 5oy7 by Molmil
Structure of the 4_601_157 tetranucleosome (P1 form)
分子名称: CHLORIDE ION, DNA (619-MER), Histone H2A, ...
著者Ekundayo, B, Richmond, T.J, Schalch, T.
登録日2017-09-07
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (5.774 Å)
主引用文献Capturing Structural Heterogeneity in Chromatin Fibers.
J. Mol. Biol., 429, 2017
1V54
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BU of 1v54 by Molmil
Bovine heart cytochrome c oxidase at the fully oxidized state
分子名称: (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, ...
著者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.
登録日2003-11-21
公開日2003-12-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The low-spin heme of cytochrome c oxidase as the driving element of the proton-pumping process.
Proc.Natl.Acad.Sci.Usa, 100, 2003
1T7J
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BU of 1t7j by Molmil
crystal structure of inhibitor amprenavir in complex with a multi-drug resistant variant of HIV-1 protease (L63P/V82T/I84V)
分子名称: ACETATE ION, Pol Polyprotein, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者King, N.M, Prabu-Jeyabalan, M, Nalivaika, E.A, Wigerinck, P.B.T.P, De Bethune, M.-P, Schiffer, C.A.
登録日2004-05-10
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor
J.Med.Chem., 48, 2005
1DKF
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BU of 1dkf by Molmil
CRYSTAL STRUCTURE OF A HETERODIMERIC COMPLEX OF RAR AND RXR LIGAND-BINDING DOMAINS
分子名称: 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, OLEIC ACID, PROTEIN (RETINOIC ACID RECEPTOR-ALPHA), ...
著者Bourguet, W, Vivat, V, Wurtz, J.M, Chambon, P, Gronemeyer, H, Moras, D, Structural Proteomics in Europe (SPINE)
登録日1999-12-07
公開日2000-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a heterodimeric complex of RAR and RXR ligand-binding domains.
Mol.Cell, 5, 2000
2CHN
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BU of 2chn by Molmil
Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex
分子名称: 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, ...
著者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.
登録日2006-03-15
公開日2006-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
1Q8A
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BU of 1q8a by Molmil
Cobalamin-dependent methionine synthase (1-566) from Thermotoga maritima (Cd2+:L-Hcy complex, Se-Met)
分子名称: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, 5-methyltetrahydrofolate S-homocysteine methyltransferase, CADMIUM ION
著者Evans, J.C, Huddler, D.P, Hilgers, M.T, Romanchuk, G, Matthews, R.G, Ludwig, M.L.
登録日2003-08-20
公開日2004-03-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of the N-terminal modules imply large domain motions during catalysis by methionine synthase.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1TEZ
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BU of 1tez by Molmil
COMPLEX BETWEEN DNA AND THE DNA PHOTOLYASE FROM ANACYSTIS NIDULANS
分子名称: 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', ...
著者Essen, L.-O, Carell, T, Mees, A, Klar, T.
登録日2004-05-26
公開日2004-12-14
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a photolyase bound to a CPD-like DNA lesion after in situ repair
Science, 306, 2004
1AXO
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BU of 1axo by Molmil
STRUCTURAL ALIGNMENT OF THE (+)-TRANS-ANTI-[BP]DG ADDUCT POSITIONED OPPOSITE DC AT A DNA TEMPLATE-PRIMER JUNCTION, NMR, 6 STRUCTURES
分子名称: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(AAC-[BP]G-CTACCATCC)D(GGATGGTAGC)
著者Feng, B, Gorin, A.A, Hingerty, B.E, Geacintov, N.E, Broyde, S, Patel, D.J.
登録日1997-10-16
公開日1998-07-01
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural alignment of the (+)-trans-anti-benzo[a]pyrene-dG adduct positioned opposite dC at a DNA template-primer junction.
Biochemistry, 36, 1997
2CVD
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BU of 2cvd by Molmil
Crystal structure analysis of human hematopoietic prostaglandin D synthase complexed with HQL-79
分子名称: 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE, GLUTATHIONE, GLYCEROL, ...
著者Aritake, K, Kado, Y, Inoue, T, Miyano, M, Urade, Y.
登録日2005-06-02
公開日2006-04-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and Functional Characterization of HQL-79, an Orally Selective Inhibitor of Human Hematopoietic Prostaglandin D Synthase.
J.Biol.Chem., 281, 2006
1T4E
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BU of 1t4e by Molmil
Structure of Human MDM2 in complex with a Benzodiazepine Inhibitor
分子名称: (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
著者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.
登録日2004-04-29
公開日2005-02-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells
J.Med.Chem., 48, 2005
2EXA
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BU of 2exa by Molmil
Crystal structure of penicillin binding protein 4 (dacB) from Escherichia coli, complexed with FAROM
分子名称: (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
著者Kishida, H, Unzai, S, Roper, D.I, Lloyd, A, Park, S.-Y, Tame, J.R.H.
登録日2005-11-08
公開日2006-06-13
最終更新日2016-10-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
2F3F
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Crystal Structure of the Bace complex with BDF488, a macrocyclic inhibitor
分子名称: (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
著者Rondeau, J.-M.
登録日2005-11-21
公開日2006-09-05
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
2CB8
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BU of 2cb8 by Molmil
High resolution crystal structure of liganded human L-ACBP
分子名称: 2-METHOXYETHANOL, ACYL-COA-BINDING PROTEIN, SULFATE ION, ...
著者Taskinen, J.P, van Aalten, D.M, Knudsen, J, Wierenga, R.K.
登録日2006-01-03
公開日2006-10-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
1U2Y
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BU of 1u2y by Molmil
In situ extension as an approach for identifying novel alpha-amylase inhibitors, structure containing D-gluconhydroximo-1,5-lactam
分子名称: (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, ...
著者Numao, S, Li, C, Damager, I, Wrodnigg, T.M, Begum, A, Overall, C.M, Brayer, G.D, Withers, S.G.
登録日2004-07-20
公開日2004-09-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献In Situ Extension as an Approach for Identifying Novel alpha-Amylase Inhibitors.
J.Biol.Chem., 279, 2004
2HUB
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BU of 2hub by Molmil
Structure of Hen Egg-White Lysozyme Determined from crystals grown in pH 7.5
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D(-)-TARTARIC ACID, ...
著者Frolow, F, Lagziel-Simis, S, Cohen-Hadar, N, Wine, Y, Freeman, A.
登録日2006-07-26
公開日2007-07-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Monitoring influence of pH on the molecular and crystal structure of hen egg-white tetragonal lysozyme
To be Published
1UUX
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Structure of a molybdopterin-bound cnx1g domain links molybdenum and copper metabolism
分子名称: COPPER (I) ION, FORMIC ACID, IMIDAZOLE, ...
著者Kuper, J, Llamas, A, Hecht, H.J, Mendel, R.R, Schwarz, G.
登録日2004-01-12
公開日2004-08-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of a Molybdopterin-Bound Cnx1G Domain Links Molybdenum and Copper Metabolism
Nature, 430, 2004
1UPD
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Oxidized STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6
分子名称: CYTOCHROME C3, HEME C
著者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.
登録日2003-09-29
公開日2004-09-30
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
1UUY
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Structure of a molybdopterin-bound cnx1g domain links molybdenum and copper metabolism
分子名称: ADENOSINE MONOPHOSPHATE, COPPER (I) ION, FORMIC ACID, ...
著者Kuper, J, Llamas, A, Hecht, H.J, Mendel, R.R, Schwarz, G.
登録日2004-01-12
公開日2004-08-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of a Molybdopterin-Bound Cnx1G Domain Links Molybdenum and Copper Metabolism
Nature, 430, 2004
2A6U
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pH evolution of tetragonal HEWL at 4 degrees Celcius.
分子名称: Lysozyme C
著者Margiolaki, I.
登録日2005-07-04
公開日2006-01-03
最終更新日2018-04-25
実験手法POWDER DIFFRACTION
主引用文献High-throughput phase-diagram mapping via powder diffraction: a case study of HEWL versus pH.
Acta Crystallogr.,Sect.D, 61, 2005
1UP9
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REDUCED STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6
分子名称: CYTOCHROME C3, HEME C, SULFATE ION
著者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.
登録日2003-09-29
公開日2004-09-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献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
1DSA
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(+)-DUOCARMYCIN SA COVALENTLY LINKED TO DUPLEX DNA, NMR, 20 STRUCTURES
分子名称: 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')
著者Eis, P.S, Smith, J.A, Case, D.A, Chazin, W.J.
登録日1997-05-08
公開日1997-08-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High resolution solution structure of a DNA duplex alkylated by the antitumor agent duocarmycin SA.
J.Mol.Biol., 272, 1997
1DSI
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Solution structure of a duocarmycin sa-indole-alkylated dna dupleX
分子名称: 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')
著者Schnell, J.R, Ketchem, R.R, Boger, D.L, Chazin, W.J.
登録日1998-07-29
公開日1998-08-05
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献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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