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6EZB
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BU of 6ezb by Molmil
Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain Q305K mutant
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, SULFATE ION, ...
著者Bou-Nader, C, Bregeon, D, Pecqueur, L, Fontecave, M, Hamdane, D.
登録日2017-11-14
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
8OVD
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BU of 8ovd by Molmil
Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
著者Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M.
登録日2023-04-25
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex.
Nat Commun, 15, 2024
8OVC
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BU of 8ovc by Molmil
Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
著者Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M.
登録日2023-04-25
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex.
Nat Commun, 15, 2024
1RNX
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BU of 1rnx by Molmil
RIBONUCLEASE A CRYSTALLIZED FROM 3M SODIUM CHLORIDE, 30% AMMONIUM SULFATE
分子名称: CHLORIDE ION, RIBONUCLEASE A
著者Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, L, Sirakova, D, Graf, I, Almo, S.C.
登録日1996-04-23
公開日1996-11-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ionic interactions in crystalline bovine pancreatic ribonuclease A.
Biochemistry, 35, 1996
8AFC
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BU of 8afc by Molmil
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12
分子名称: 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Boettcher, J, Kessler, D.
登録日2022-07-16
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8AFB
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CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474)
分子名称: (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Boettcher, J, Kessler, D.
登録日2022-07-16
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8AFD
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BU of 8afd by Molmil
CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a
分子名称: (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ...
著者Boettcher, J, Kessler, D.
登録日2022-07-16
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.633 Å)
主引用文献Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
8AXP
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BU of 8axp by Molmil
Neisseria gonorrhoeae peptidyl-tRNA hydrolase complexed with an XChem hit.
分子名称: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, Peptidyl-tRNA hydrolase, SULFATE ION
著者Roe, S.M, Fearon, D.
登録日2022-08-31
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction.
Org.Lett., 24, 2022
8B02
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BU of 8b02 by Molmil
Crystal structure of the dsRBD domain of tRNA-dihydrouridine(20) synthase from Amphimedon queenslandica
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, DRBM domain-containing protein, ...
著者Pecqueur, L, Faivre, B, Hamdane, D.
登録日2022-09-07
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.676 Å)
主引用文献Evolutionary Diversity of Dus2 Enzymes Reveals Novel Structural and Functional Features among Members of the RNA Dihydrouridine Synthases Family.
Biomolecules, 12, 2022
6EZC
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BU of 6ezc by Molmil
Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K Q305K double mutant
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Bou-Nader, C, Bregeon, D, Vincent, G, Fontecave, M, Hamdane, D.
登録日2017-11-14
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
8ASY
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BU of 8asy by Molmil
SARS-CoV-2 Omicron BA.2.75 RBD in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Zhou, D, Huo, J, Ren, J, Stuart, D.I.
登録日2022-08-22
公開日2023-01-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A delicate balance between antibody evasion and ACE2 affinity for Omicron BA.2.75.
Cell Rep, 42, 2022
6FFZ
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BU of 6ffz by Molmil
Crystal structure of R. ruber ADH-A, mutant F43H, Y54L
分子名称: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
登録日2018-01-09
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin.
Biochemistry, 57, 2018
1WRS
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BU of 1wrs by Molmil
NMR STUDY OF HOLO TRP REPRESSOR
分子名称: HOLO TRP REPRESSOR, TRYPTOPHAN
著者Zhao, D, Zheng, Z.
登録日1995-05-12
公開日1996-06-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refined solution structures of the Escherichia coli trp holo- and aporepressor.
J.Mol.Biol., 229, 1993
1WRT
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BU of 1wrt by Molmil
NMR STUDY OF APO TRP REPRESSOR
分子名称: APO TRP REPRESSOR
著者Zhao, D, Zheng, Z.
登録日1995-05-12
公開日1996-06-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refined solution structures of the Escherichia coli trp holo- and aporepressor.
J.Mol.Biol., 229, 1993
5C1E
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BU of 5c1e by Molmil
Crystal Structure of the Pectin Methylesterase from Aspergillus niger in Penultimately Deglycosylated Form (N-acetylglucosamine Stub at Asn84)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
著者Jameson, G.B, Williams, M.A.K, Loo, T.S, Kent, L.M, Melton, L.D, Mercadante, D.
登録日2015-06-13
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and Properties of a Non-processive, Salt-requiring, and Acidophilic Pectin Methylesterase from Aspergillus niger Provide Insights into the Key Determinants of Processivity Control.
J.Biol.Chem., 291, 2016
7QO3
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BU of 7qo3 by Molmil
Structure of the 26S proteasome-Ubp6 complex in the si state (Core Particle and Lid)
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
著者Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
登録日2021-12-23
公開日2022-04-13
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
6TAZ
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BU of 6taz by Molmil
Timeless couples G quadruplex detection with processing by DDX11 during DNA replication
分子名称: Protein timeless homolog
著者Lerner Koch, L, Holzer, S, Kilkenny, M.L, Murat, P, Svikovic, S, Schiavone, D, Bittleston, A, Maman, J.D, Branzei, D, Stott, K, Pellegrini, L, Sale, E.J.
登録日2019-10-31
公開日2020-07-01
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Timeless couples G-quadruplex detection with processing by DDX11 helicase during DNA replication.
Embo J., 39, 2020
1XC7
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BU of 1xc7 by Molmil
Binding of beta-D-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: Kinetic and crystallographic studies
分子名称: Glycogen phosphorylase, muscle form, N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine, ...
著者Chrysina, E.D, Kosmopoulou, M.N, Kardakaris, R, Bischler, N, Leonidas, D.D, Kannan, T, Loganathan, D, Oikonomakos, N.G.
登録日2004-09-01
公開日2005-02-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Binding of beta-d-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: kinetic and crystallographic studies
Bioorg.Med.Chem., 13, 2005
6TLZ
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BU of 6tlz by Molmil
N-Domain P40/P90 Mycoplasma pneumoniae complexed with 3'SL
分子名称: Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
著者Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J.
登録日2019-12-03
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
1U9C
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BU of 1u9c by Molmil
Crystallographic structure of APC35852
分子名称: APC35852
著者Borek, D, Chen, Y, Shao, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG)
登録日2004-08-09
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural analysis of DJI superfamily
To be Published
7QO4
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BU of 7qo4 by Molmil
26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS)
分子名称: 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
登録日2021-12-23
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
6EUM
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BU of 6eum by Molmil
CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307
分子名称: (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
著者Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J.
登録日2017-10-30
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
1TY4
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BU of 1ty4 by Molmil
Crystal structure of a CED-9/EGL-1 complex
分子名称: Apoptosis regulator ced-9, EGg Laying defective EGL-1, programmed cell death activator
著者Yan, N, Gu, L, Kokel, D, Xue, D, Shi, Y.
登録日2004-07-07
公開日2004-09-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural, Biochemical, and Functional Analyses of CED-9 Recognition by the Proapoptotic Proteins EGL-1 and CED-4
Mol.Cell, 15, 2004
6EWE
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BU of 6ewe by Molmil
Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308
分子名称: (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
著者Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J.
登録日2017-11-03
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
7TPR
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BU of 7tpr by Molmil
Camel nanobodies 7A3 and 8A2 broadly neutralize SARS-CoV-2 variants
分子名称: Nanobody 7A3, Nanobody 8A2, Spike glycoprotein
著者Butay, K.J, Zhu, J, Dandey, V.P, Hong, J, Kwon, H.J, Chen, C.Z, Duan, Z, Li, D, Ren, H, Liang, T, Martin, N, Esposito, D, Ortega-Rodriguez, U, Xu, M, Xie, H, Ho, M, Cachau, R, Borgnia, M.J.
登録日2022-01-25
公開日2022-04-20
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Camel nanobodies broadly neutralize SARS-CoV-2 variants
bioRxiv, 2021

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