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4QCF
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BU of 4qcf by Molmil
Crystal structure of N-terminal mutant (V1A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
分子名称: Alkaline thermostable endoxylanase, CHLORIDE ION, MAGNESIUM ION, ...
著者Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S.
登録日2014-05-11
公開日2015-05-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural insights into N-terminal to C-terminal interactions and implications for thermostability of a (beta/alpha)8-triosephosphate isomerase barrel enzyme
Febs J., 282, 2015
8A1U
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BU of 8a1u by Molmil
Sodium pumping NADH-quinone oxidoreductase with substrates NADH and Q2
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DODECYL-BETA-D-MALTOSIDE, ...
著者Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
登録日2022-06-02
公開日2023-09-20
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
8A2O
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BU of 8a2o by Molmil
Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
著者Moraes, I, Kwan, T.O.C, Axford, D.
登録日2022-06-06
公開日2023-08-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
8A0S
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BU of 8a0s by Molmil
MTH1 in complex with TH013350
分子名称: 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Liu, H, Scaletti, E, Stenmark, P.
登録日2022-05-30
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献MTH1 in complex with TH013350
To Be Published
8JNC
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BU of 8jnc by Molmil
Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin
分子名称: (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ...
著者Zhang, Y.L, Zhang, L.P, Zhang, C.S.
登録日2023-06-06
公開日2023-11-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
3WF6
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BU of 3wf6 by Molmil
Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine
分子名称: 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION
著者Niwa, H, Shirouzu, M, Yokoyama, S.
登録日2013-07-17
公開日2014-08-06
最終更新日2014-10-29
実験手法X-RAY DIFFRACTION (2.031 Å)
主引用文献Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
5MBJ
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BU of 5mbj by Molmil
Structure of a bacterial light-regulated adenylyl cyclase
分子名称: Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE
著者Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
登録日2016-11-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
5TEY
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BU of 5tey by Molmil
Human METTL3-METTL14 complex
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
著者DONG, A, ZENG, H, LI, Y, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2016-09-23
公開日2016-11-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human METTL3-METTL14 complex
to be published
5MBV
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BU of 5mbv by Molmil
Cryo-EM structure of Lambda Phage protein GamS bound to RecBCD.
分子名称: Host-nuclease inhibitor protein gam, RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, ...
著者Wilkinson, M, Chaban, Y, Wigley, D.B.
登録日2016-11-08
公開日2017-01-11
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for the inhibition of RecBCD by Gam and its synergistic antibacterial effect with quinolones.
Elife, 5, 2016
8A3A
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BU of 8a3a by Molmil
MTH1 in complex with TH013074
分子名称: 4-(4-methylphenyl)-1~{H}-quinazolin-2-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Liu, H, Scaletti, E, Stenmark, P.
登録日2022-06-07
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献MTH1 in complex with TH013074
To Be Published
8A07
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BU of 8a07 by Molmil
MTH1 in complex with TH001969
分子名称: 1~{H}-quinazoline-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Scaletti, E.R, Narwal, M, Stenmark, P.
登録日2022-05-26
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献MTH1 in complex with TH001969
To Be Published
6B00
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BU of 6b00 by Molmil
Thermostabilized mutant of human carbonic anhydrase II - A65T L100H K154N L224S L240P A248T
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION
著者Kean, K.M, Karplus, P.A.
登録日2017-09-13
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Structural insights into a thermostable variant of human carbonic anhydrase II.
Protein Sci., 27, 2018
3WGW
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BU of 3wgw by Molmil
Structure of PCNA bound to a small molecule inhibitor
分子名称: 4-{4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol, Proliferating cell nuclear antigen, SULFATE ION
著者Hashimoto, H.
登録日2013-08-12
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A small molecule inhibitor of monoubiquitinated Proliferating Cell Nuclear Antigen (PCNA) inhibits repair of interstrand DNA cross-link, enhances DNA double strand break, and sensitizes cancer cells to cisplatin.
J.Biol.Chem., 289, 2014
8A0T
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BU of 8a0t by Molmil
MTH1 in complex with TH012532
分子名称: 5-(phenylmethyl)pyrimidine-2,4-diol, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Scaletti, E, Stenmark, P.
登録日2022-05-30
公開日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献MTH1 in complex with TH012532
To Be Published
4QF6
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BU of 4qf6 by Molmil
Structure of Aldehyde Dehydrogenase from Bacillus cereus, E194S mutant
分子名称: Aldehyde dehydrogenase, SODIUM ION
著者Ngo, H.P.T, Hong, S.H, Oh, D.K, Kang, L.W.
登録日2014-05-19
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Kinetic Analysis for Cofactor-binding Residues in Mammalian-like Aldehyde Dehydrogenase from Bacillus cereus Involved in Oxidation and Reduction Activity for All-trans-retinal
To be Published
1BO9
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BU of 1bo9 by Molmil
NMR SOLUTION STRUCTURE OF DOMAIN 1 OF HUMAN ANNEXIN I
分子名称: PROTEIN (ANNEXIN I)
著者Gao, J, Yan Li, H.
登録日1998-08-10
公開日1998-08-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR solution structure of domain 1 of human annexin I shows an autonomous folding unit.
J.Biol.Chem., 274, 1999
8A34
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BU of 8a34 by Molmil
MTH1 in complex with TH013071
分子名称: 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ...
著者Liu, H, Scaletti, E, Stenmark, P.
登録日2022-06-07
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献MTH1 in complex with TH013071
To Be Published
5MGB
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BU of 5mgb by Molmil
Crystal Structure of Rat Peroxisomal Multifunctional enzyme Type-1 (RPMFE1) Complexed with Acetoacetyl-CoA and NAD
分子名称: ACETOACETYL-COENZYME A, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kasaragod, P, Kiema, T.-R, Schmitz, W, Hiltunen, J.K, Wierenga, R.K.
登録日2016-11-21
公開日2016-12-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural enzymology comparisons of multifunctional enzyme, type-1 (MFE1): the flexibility of its dehydrogenase part.
FEBS Open Bio, 7, 2017
5MHA
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BU of 5mha by Molmil
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with a mixture of 2-ketohexanoic acid and 2-hydroxyhexanoic acid, and NADPH (1.57 A resolution)
分子名称: (2R)-2-hydroxyhexanoic acid, 1,2-ETHANEDIOL, 2-Ketohexanoic acid, ...
著者Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J.
登録日2016-11-23
公開日2018-05-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
8D9K
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BU of 8d9k by Molmil
CryoEM structure of human METTL1-WDR4 in complex with Lys-tRNA
分子名称: RNA (65-MER), tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4
著者Ruiz-Arroyo, V.M, Nam, Y.
登録日2022-06-10
公開日2023-01-11
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Structures and mechanisms of tRNA methylation by METTL1-WDR4.
Nature, 613, 2023
5TID
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BU of 5tid by Molmil
X-ray structure of acyl-CoA thioesterase I, TesA, mutant M141L/Y145K/L146K at pH 5 in complex with octanoic acid
分子名称: Acyl-CoA thioesterase I, OCTANOIC ACID (CAPRYLIC ACID)
著者Thoden, J.B, Holden, H.M, Grisewood, M.J, Hernandez Lozada, N.J, Gifford, N.P, Mendez-Perez, D, Schoenberger, H.A, Allan, M.F, Pfleger, B.F, Marines, C.D.
登録日2016-10-02
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids.
ACS Catal, 7, 2017
4QI4
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BU of 4qi4 by Molmil
Dehydrogenase domain of Myriococcum thermophilum cellobiose dehydrogenase, MtDH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
著者Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C.
登録日2014-05-30
公開日2015-07-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
4IK5
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BU of 4ik5 by Molmil
High resolution structure of Delta-REST-GCaMP3
分子名称: CALCIUM ION, RCaMP, Green fluorescent protein
著者Chen, Y, Song, X, Miao, L, Zhu, Y, Ji, G.
登録日2012-12-25
公開日2014-01-29
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into enhanced calcium indicator GCaMP3 and GCaMPJ to promote further improvement.
Protein Cell, 4, 2013
8D39
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BU of 8d39 by Molmil
The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid
分子名称: 4-benzoylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-06-01
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.268 Å)
主引用文献Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
分子名称: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018

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