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6FFW
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BU of 6ffw by Molmil
Phosphotriesterase PTE_A53_5
分子名称: (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
登録日2018-01-09
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.495 Å)
主引用文献Phosphotriesterase PTE_A53_5
To Be Published
5SX6
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BU of 5sx6 by Molmil
Crystal structure of the catalase-peroxidase KatG of B. pseudomallei at pH 6.5
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-09
公開日2016-08-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes.
Biochemistry, 45, 2006
6V0Q
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BU of 6v0q by Molmil
Crystal structure of the bromodomain of human BRD7 bound to TG003
分子名称: (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 7, ...
著者Karim, M.R, Chan, A, Schonbrunn, E.
登録日2019-11-19
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
2V8V
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BU of 2v8v by Molmil
Crystal structure of mutant R322A of beta-alanine synthase from Saccharomyces kluyveri
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-ALANINE SYNTHASE, N-(AMINOCARBONYL)-BETA-ALANINE, ...
著者Lundgren, S, Andersen, B, Piskur, J, Dobritzsch, D.
登録日2007-08-15
公開日2007-10-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of Yeast -Alanine Synthase Complexes Reveal the Mode of Substrate Binding and Large Scale Domain Closure Movements.
J.Biol.Chem., 282, 2007
5SX7
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BU of 5sx7 by Molmil
Crystal structure of catalase-peroxidase KatG of B. pseudomallei at pH 8.5
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-09
公開日2016-08-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Roles for Arg426 and Trp111 in the modulation of NADH oxidase activity of the catalase-peroxidase KatG from Burkholderia pseudomallei inferred from pH-induced structural changes.
Biochemistry, 45, 2006
3ZCY
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BU of 3zcy by Molmil
Ascorbate peroxidase W41A-H42Y mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ...
著者Gumiero, A, Raven, E.L, Moody, P.C.E.
登録日2012-11-23
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the Conformational Mobility of the Active Site of Ascorbate Peroxidase
Dalton Trans, 42, 2013
6FIY
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Crystal structure of a dye-decolorizing peroxidase D143AR232A variant from Klebsiella pneumoniae (KpDyP)
分子名称: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
著者Pfanzagl, V, Hofbauer, S, Mlynek, G.
登録日2018-01-19
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.09000432 Å)
主引用文献Roles of distal aspartate and arginine of B-class dye-decolorizing peroxidase in heterolytic hydrogen peroxide cleavage.
J. Biol. Chem., 293, 2018
5SW4
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BU of 5sw4 by Molmil
Crystal structure of native catalase-peroxidase KatG at pH8.0
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-08
公開日2016-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A molecular switch and electronic circuit modulate catalase activity in catalase-peroxidases.
EMBO Rep., 6, 2005
6BVM
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BU of 6bvm by Molmil
Ras:SOS:Ras in complex with a small molecule activator
分子名称: (2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Abbott, J, Fesik, S.W.
登録日2017-12-13
公開日2018-10-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
9IHV
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BU of 9ihv by Molmil
Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant D352N in complex with maltopentaose
分子名称: GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Zhu, Z.M, Wang, W.W, Yu, F.
登録日2024-06-18
公開日2025-06-04
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
7EJ1
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BU of 7ej1 by Molmil
human voltage-gated potassium channel KV1.3
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 3, Voltage-gated potassium channel subunit beta-2
著者Liu, S, Zhao, Y, Tian, C.
登録日2021-04-01
公開日2021-06-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of wild-type and H451N mutant human lymphocyte potassium channel K V 1.3.
Cell Discov, 7, 2021
4I1L
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BU of 4i1l by Molmil
Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function
分子名称: ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ...
著者Song, X.M, Greene, M.I, Zhou, Z.C.
登録日2012-11-21
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
3FG2
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BU of 3fg2 by Molmil
Crystal Structure of Ferredoxin Reductase for the CYP199A2 System from Rhodopseudomonas palustris
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Putative rubredoxin reductase
著者Xu, F.
登録日2008-12-04
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a ferredoxin reductase for the CYP199A2 system from Rhodopseudomonas palustris
Proteins, 77, 2009
4GX1
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BU of 4gx1 by Molmil
Crystal structure of the GsuK bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, PHOSPHATE ION, ...
著者Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y.
登録日2012-09-03
公開日2012-12-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel.
elife, 1, 2012
7ALX
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BU of 7alx by Molmil
Sav-SOD: Chimeric Streptavidin-cSOD as Host for Artificial Metalloenzymes
分子名称: ((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold, Streptavidin,Superoxide dismutase [Cu-Zn],Streptavidin
著者Igareta, N.V, Christoffel, F, Peterson, R.L, Ward, T.R.
登録日2020-10-07
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and evolution of chimeric streptavidin for protein-enabled dual gold catalysis
Nat Catal, 4, 2021
9F5Z
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BU of 9f5z by Molmil
Structure of the Chlamydomonas reinhardtii respiratory complex III from respiratory supercomplex
分子名称: (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, ...
著者Waltz, F, Righetto, R, Kotecha, A, Engel, B.D.
登録日2024-04-30
公開日2025-03-12
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献In-cell architecture of the mitochondrial respiratory chain.
Science, 387, 2025
2W3S
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BU of 2w3s by Molmil
Crystal Structure of Xanthine Dehydrogenase (desulfo form) from Rhodobacter capsulatus in Complex with Xanthine
分子名称: CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Dietzel, U, Kuper, J, Leimkuhler, S, Kisker, C.
登録日2008-11-14
公開日2008-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
5UGT
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BU of 5ugt by Molmil
Crystal structure of M. tuberculosis InhA inhibited by PT504
分子名称: 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C.
登録日2017-01-10
公開日2017-02-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
5DT1
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BU of 5dt1 by Molmil
Crystal structure of human Fab CAP256-VRC26.25, a potent V1V2-directed HIV-1 broadly neutralizing antibody
分子名称: Fab Heavy chain of broadly neutralizing antibody VRC26.25, Fab Light chain of broadly neutralizing antibody VRC26.25, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Gorman, J, Kwong, P.D.
登録日2015-09-17
公開日2015-10-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献New Member of the V1V2-Directed CAP256-VRC26 Lineage That Shows Increased Breadth and Exceptional Potency.
J.Virol., 90, 2015
4RZR
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BU of 4rzr by Molmil
Bypass of a bulky adduct dG1,8 by DPO4
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Vyas, R, Suo, Z.
登録日2014-12-23
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanistic Basis for the Bypass of a Bulky DNA Adduct Catalyzed by a Y-Family DNA Polymerase.
J.Am.Chem.Soc., 137, 2015
5E7R
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BU of 5e7r by Molmil
Crystal structure of TL10-81 bound to TAK1-TAB1
分子名称: 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein
著者Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D.
登録日2015-10-13
公開日2016-09-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5X23
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Crystal structure of CYP2C9 genetic variant A477T (*30) in complex with multiple losartan molecules
分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
著者Maekawa, K, Adachi, M, Shah, M.B.
登録日2017-01-30
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9
Biochemistry, 56, 2017
6DKP
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BU of 6dkp by Molmil
The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide
分子名称: Beta-2-microglobulin, DMF5 T-cell Receptor Alpha Chain fusion, DMF5 T-cell Receptor Beta Chain fusion, ...
著者Hellman, L.M, Singh, N.K.
登録日2018-05-30
公開日2019-04-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.966 Å)
主引用文献Improving T Cell Receptor On-Target Specificity via Structure-Guided Design.
Mol. Ther., 27, 2019
5SZW
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NMR solution structure of the RRM1 domain of the post-transcriptional regulator HuR
分子名称: ELAV-like protein 1
著者Lixa, C, Mujo, A, Jendiroba, K.A, Almeida, F.C.L, Lima, L.M.T.R, Pinheiro, A.S.
登録日2016-08-15
公開日2017-09-06
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Oligomeric transition and dynamics of RNA binding by the HuR RRM1 domain in solution.
J. Biomol. NMR, 72, 2018
7JUS
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BU of 7jus by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
分子名称: Cobimetinib, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, ...
著者Khan, Z.M, Dar, A.C.
登録日2020-08-20
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020

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