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8E9U
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BU of 8e9u by Molmil
Crystal structure of E. coli aspartate aminotransferase mutant HEX in the ligand-free form at 303 K
分子名称: Aspartate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Chica, R.A, St-Jacques, A.D, Rodriguez, J.M, Thompson, M.C.
登録日2022-08-26
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Computational remodeling of an enzyme conformational landscape for altered substrate selectivity.
Nat Commun, 14, 2023
1RUL
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BU of 1rul by Molmil
Crystal Structure (D) of u.v.-irradiated cationic cyclization antibody 4C6 Fab at pH 5.6 with a data set collected at SSRL beamline 11-1.
分子名称: ACETATE ION, BENZOIC ACID, GLYCEROL, ...
著者Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A.
登録日2003-12-11
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.
Proc.Natl.Acad.Sci.USA, 110, 2004
1RUR
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BU of 1rur by Molmil
Crystal Structure (I) of native Diels-Alder antibody 13G5 Fab at pH 8.0 with a data set collected at SSRL beamline 9-1.
分子名称: ZINC ION, immunoglobulin 13G5, heavy chain, ...
著者Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A.
登録日2003-12-11
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.
Proc.Natl.Acad.Sci.USA, 110, 2004
1RUQ
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BU of 1ruq by Molmil
Crystal Structure (H) of u.v.-irradiated Diels-Alder antibody 13G5 Fab at pH 8.0 with a data set collected in house.
分子名称: ZINC ION, immunoglobulin 13G5 heavy chain, immunoglobulin 13G5 light chain
著者Zhu, X, Wentworth Jr, P, Wentworth, A.D, Eschenmoser, A, Lerner, R.A, Wilson, I.A.
登録日2003-12-11
公開日2004-03-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Probing the antibody-catalyzed water-oxidation pathway at atomic resolution.
Proc.Natl.Acad.Sci.USA, 110, 2004
1JFP
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BU of 1jfp by Molmil
Structure of bovine rhodopsin (dark adapted)
分子名称: RETINAL, rhodopsin
著者Yeagle, P.L, Choi, G, Albert, A.D.
登録日2001-06-21
公開日2001-10-05
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Studies on the structure of the G-protein-coupled receptor rhodopsin including the putative G-protein binding site in unactivated and activated forms.
Biochemistry, 40, 2001
1KUQ
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BU of 1kuq by Molmil
CRYSTAL STRUCTURE OF T3C MUTANT S15 RIBOSOMAL PROTEIN IN COMPLEX WITH 16S RRNA
分子名称: 16S RIBOSOMAL RNA FRAGMENT, 30S RIBOSOMAL PROTEIN S15, SULFATE ION
著者Nikulin, A.D, Tishchenko, S, Revtovich, S, Ehresmann, B, Ehresmann, C, Dumas, P, Garber, M, Nikonov, S, Nevskaya, N.
登録日2002-01-22
公開日2003-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Role of N-terminal helix in interaction of ribosomal protein S15 with 16S rRNA.
Biochemistry Mosc., 69, 2004
1LN6
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BU of 1ln6 by Molmil
STRUCTURE OF BOVINE RHODOPSIN (Metarhodopsin II)
分子名称: RETINAL, RHODOPSIN
著者Choi, G, Landin, J, Galan, J.F, Birge, R.R, Albert, A.D, Yeagle, P.L.
登録日2002-05-03
公開日2002-07-10
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Structural studies of metarhodopsin II, the activated form of the G-protein coupled receptor, rhodopsin.
Biochemistry, 41, 2002
1L5Z
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BU of 1l5z by Molmil
CRYSTAL STRUCTURE OF THE E121K SUBSTITUTION OF THE RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD
分子名称: C4-DICARBOXYLATE TRANSPORT TRANSCRIPTIONAL REGULATORY PROTEIN DCTD, GLYCEROL, SULFATE ION
著者Park, S, Meyer, M, Jones, A.D, Yennawar, H.P, Yennawar, N.H, Nixon, B.T.
登録日2002-03-08
公開日2002-10-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two-component signaling in the AAA + ATPase DctD: binding Mg2+ and BeF3- selects between alternate dimeric states of the receiver domain
FASEB J., 16, 2002
1L5Y
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BU of 1l5y by Molmil
CRYSTAL STRUCTURE OF MG2+ / BEF3-BOUND RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD
分子名称: BERYLLIUM DIFLUORIDE, BERYLLIUM TETRAFLUORIDE ION, BERYLLIUM TRIFLUORIDE ION, ...
著者Park, S, Meyer, M, Jones, A.D, Yennawar, H.P, Yennawar, N.H, Nixon, B.T.
登録日2002-03-08
公開日2002-10-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two-component signaling in the AAA + ATPase DctD: binding Mg2+ and BeF3- selects between alternate dimeric states of the receiver domain
FASEB J., 16, 2002
1ULL
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BU of 1ull by Molmil
RNA APTAMER COMPLEXED WITH HIV-1 REV PEPTIDE, NMR, 7 STRUCTURES
分子名称: REV PEPTIDE, RNA (5'-R (GP*GP*CP*UP*GP*GP*AP*CP*UP*CP*GP*UP*AP*CP*UP*UP*CP*GP* GP*UP*AP*CP*UP*GP*GP*AP*GP*AP*AP*AP*CP*AP*GP*CP*C)-3')
著者Ye, X, Gorin, A, Ellington, A.D, Patel, D.J.
登録日1996-11-05
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Deep penetration of an alpha-helix into a widened RNA major groove in the HIV-1 rev peptide-RNA aptamer complex.
Nat.Struct.Biol., 3, 1996
1TUR
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BU of 1tur by Molmil
SOLUTION STRUCTURE OF TURKEY OVOMUCOID THIRD DOMAIN AS DETERMINED FROM NUCLEAR MAGNETIC RESONANCE DATA
分子名称: OVOMUCOID
著者Krezel, A.M, Darba, P, Robertson, A.D, Fejzo, J, Macura, S, Markley, J.L.
登録日1994-07-06
公開日1994-10-15
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Solution structure of turkey ovomucoid third domain as determined from nuclear magnetic resonance data.
J.Mol.Biol., 242, 1994
1J5B
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BU of 1j5b by Molmil
Solution structure of a hydrophobic analogue of the winter flounder antifreeze protein
分子名称: Antifreeze protein type 1 analogue
著者Liepinsh, E, Otting, G, Harding, M.M, Ward, L.G, Mackay, J.P, Haymet, A.D.
登録日2002-03-22
公開日2002-03-27
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of a hydrophobic analogue of the winter flounder antifreeze protein.
Eur.J.Biochem., 269, 2002
1TX8
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BU of 1tx8 by Molmil
Bovine Trypsin complexed with AMSO
分子名称: 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Trypsinogen
著者Mesecar, A.D.
登録日2004-07-02
公開日2005-10-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa
Bioorg.Med.Chem.Lett., 14, 2004
1M32
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BU of 1m32 by Molmil
Crystal Structure of 2-aminoethylphosphonate Transaminase
分子名称: 2-aminoethylphosphonate-pyruvate aminotransferase, PHOSPHATE ION, PHOSPHONOACETALDEHYDE, ...
著者Chen, C.C.H, Zhang, H, Kim, A.D, Howard, A, Sheldrick, G.M, Mariano-Dunnaway, D, Herzberg, O.
登録日2002-06-26
公開日2002-11-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Degradation Pathway of the Phosphonate Ciliatine: Crystal Structure of 2-Aminoethylphosphonate Transaminase
Biochemistry, 41, 2002
7ONS
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BU of 7ons by Molmil
PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16)
分子名称: 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
7ONT
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BU of 7ont by Molmil
PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22)
分子名称: 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
7ONR
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BU of 7onr by Molmil
PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9)
分子名称: 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
7OKQ
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BU of 7okq by Molmil
Cryo-EM Structure of the DDB1-DCAF1-CUL4A-RBX1 Complex
分子名称: Cullin-4A, DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, ...
著者Mohamed, W.I, Schenk, A.D, Kempf, G, Cavadini, S, Thoma, N.H.
登録日2021-05-18
公開日2021-10-13
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (8.4 Å)
主引用文献The CRL4 DCAF1 cullin-RING ubiquitin ligase is activated following a switch in oligomerization state.
Embo J., 40, 2021
5MDH
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BU of 5mdh by Molmil
CRYSTAL STRUCTURE OF TERNARY COMPLEX OF PORCINE CYTOPLASMIC MALATE DEHYDROGENASE ALPHA-KETOMALONATE AND TNAD AT 2.4 ANGSTROMS RESOLUTION
分子名称: ALPHA-KETOMALONIC ACID, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Chapman, A.D.M, Cortes, A, Dafforn, T.R, Clarke, A.R, Brady, R.L.
登録日1998-10-08
公開日1999-05-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of substrate specificity in malate dehydrogenases: crystal structure of a ternary complex of porcine cytoplasmic malate dehydrogenase, alpha-ketomalonate and tetrahydoNAD.
J.Mol.Biol., 285, 1999
7PI6
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BU of 7pi6 by Molmil
Trypanosoma brucei ISG65 bound to human complement C3d
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 65 kDa invariant surface glycoprotein, Complement C3dg fragment, ...
著者Cook, A.D, Higgins, M.K.
登録日2021-08-19
公開日2022-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Invariant surface glycoprotein 65 of Trypanosoma brucei is a complement C3 receptor.
Nat Commun, 13, 2022
7QYI
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BU of 7qyi by Molmil
Solution structure of the DNA-binding minor pilin FimT from Legionella pneumophila
分子名称: Pilus assembly protein
著者Braus, S.A.G, Hospenthal, M.K, Gossert, A.D.
登録日2022-01-28
公開日2022-03-02
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The molecular basis of FimT-mediated DNA uptake during bacterial natural transformation.
Nat Commun, 13, 2022
7QER
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BU of 7qer by Molmil
human Connexin 26 dodecamer at 55mm Hg PCO2, pH7.4
分子名称: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
著者Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
登録日2021-12-03
公開日2022-03-30
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
7QEQ
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BU of 7qeq by Molmil
human Connexin 26 dodecamer at 90mmHg PCO2, pH7.4
分子名称: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
著者Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
登録日2021-12-03
公開日2022-03-30
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (1.9 Å)
主引用文献Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
7QET
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BU of 7qet by Molmil
human Connexin 26 dodecamer at 20mmHg PCO2, pH7.4
分子名称: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
著者Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
登録日2021-12-03
公開日2022-03-30
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
7QEW
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BU of 7qew by Molmil
human Connexin 26 class 2 hexamer at 90mmHg PCO2, pH7.4
分子名称: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
著者Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
登録日2021-12-03
公開日2022-03-30
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022

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