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4QI6
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BU of 4qi6 by Molmil
Cellobiose dehydrogenase from Myriococcum thermophilum, MtCDH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiose dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
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2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
5CND
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BU of 5cnd by Molmil
Ultrafast dynamics in myoglobin: 3 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
8D7B
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BU of 8d7b by Molmil
Crystal structure of hen egg white lysozyme at 225 Kelvin
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-07
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8D8E
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BU of 8d8e by Molmil
Crystal structure of hen egg white lysozyme at 300 Kelvin (Triplicate)
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-08
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
5MNS
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BU of 5mns by Molmil
Structural and functional characterization of OleP in complex with 6DEB in sodium formate
分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
著者Parisi, G, Savino, C, Montemiglio, L.C, Vallone, B.
登録日2016-12-13
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Substrate-induced conformational change in cytochrome P450 OleP.
FASEB J., 33, 2019
6BH7
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BU of 6bh7 by Molmil
Phosphotriesterase variant R18+254S
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-10-30
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphotriesterase variant R18+254S
To Be Published
8CXI
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BU of 8cxi by Molmil
Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy
分子名称: A11 heavy chain, A11 light chain, Ankyrin repeat family A protein 2,Envelope E protein, ...
著者Liu, W, Zhang, X.K, Gong, D.Y, Dai, X.H, Sharma, A, Zhang, T.H, Rey, F, Zhou, Z.H.
登録日2022-05-21
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy
To Be Published
4QJE
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BU of 4qje by Molmil
1.85 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-free sulfinic acid form of Cys289
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine aldehyde dehydrogenase, ...
著者Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-06-03
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
4QOE
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BU of 4qoe by Molmil
The value 'crystal structure of fad quinone reductase 2 at 1.45A
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
登録日2014-06-20
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The value 'crystal structure of fad quinone reductase 2 at 1.45A
To be Published
8D5U
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BU of 8d5u by Molmil
Crystal structure of hen egg white lysozyme at 100 Kelvin (Triplicate)
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8DGM
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BU of 8dgm by Molmil
14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) peptide
分子名称: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, Inactive tyrosine-protein kinase PEAK1
著者Roy, M.J, Hardy, J.M, Lucet, I.S.
登録日2022-06-24
公開日2023-06-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling.
Nat Commun, 14, 2023
1SM3
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BU of 1sm3 by Molmil
CRYSTAL STRUCTURE OF THE TUMOR SPECIFIC ANTIBODY SM3 COMPLEX WITH ITS PEPTIDE EPITOPE
分子名称: CADMIUM ION, CHLORIDE ION, PEPTIDE EPITOPE, ...
著者Dokurno, P, Bates, P.A, Band, H.A, Stewart, L.M.D, Lally, J.M, Burchell, J.M, Taylor-Papadimitriou, J, Sternberg, M.J.E, Snary, D, Freemont, P.S.
登録日1997-12-23
公開日1999-03-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure at 1.95 A resolution of the breast tumour-specific antibody SM3 complexed with its peptide epitope reveals novel hypervariable loop recognition.
J.Mol.Biol., 284, 1998
8D6B
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BU of 8d6b by Molmil
Crystal structure of hen egg white lysozyme at 175 Kelvin (Duplicate)
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8AG6
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BU of 8ag6 by Molmil
human MutSalpha (MSH2/MSH6) binding to DNA with a GT mismatch
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA (50-MER), DNA mismatch repair protein Msh2, ...
著者Bruekner, S.R, Sixma, T.K.
登録日2022-07-19
公開日2023-01-25
最終更新日2023-03-01
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Unexpected moves: a conformational change in MutS alpha enables high-affinity DNA mismatch binding.
Nucleic Acids Res., 51, 2023
8D5W
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BU of 8d5w by Molmil
Crystal structure of hen egg white lysozyme at 125 Kelvin
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-06
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8J0I
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BU of 8j0i by Molmil
Aldo-keto reductase KmAKR
分子名称: NADPH-dependent alpha-keto amide reductase, SODIUM ION
著者Xu, S.Y, Zhou, L, Xu, Y, Wang, Y.J, Zheng, Y.G.
登録日2023-04-11
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Aldo-keto reductase KmAKR from Kluyveromyces marxianus
To Be Published
8GCV
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BU of 8gcv by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals
分子名称: Beta-lactamase, PHOSPHATE ION
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8CXG
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BU of 8cxg by Molmil
Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy
分子名称: Ankyrin repeat family A protein 2,Envelope E protein, C8 scFv heavy chain, C8 scFv light chain, ...
著者Liu, W, Zhang, X.K, Gong, D.Y, Dai, X.H, Sharma, A, Zhang, T.H, Rey, F, Zhou, Z.H.
登録日2022-05-21
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy
To Be Published
8D7C
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BU of 8d7c by Molmil
Crystal structure of hen egg white lysozyme at 225 Kelvin (Duplicate)
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-07
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8AJX
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BU of 8ajx by Molmil
E. coli NfsA with Fumarate
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, FUMARIC ACID, ...
著者Day, M.A, Jarrom, D, White, S.A, Hyde, E.I.
登録日2022-07-28
公開日2023-01-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Oxygen-insensitive nitroreductase E. coli NfsA, but not NfsB, is inhibited by fumarate.
Proteins, 91, 2023
8D8F
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BU of 8d8f by Molmil
Crystal structure of hen egg white lysozyme at 325 Kelvin
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-08
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
1AHL
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BU of 1ahl by Molmil
ANTHOPLEURIN-A,NMR, 20 STRUCTURES
分子名称: ANTHOPLEURIN-A
著者Pallaghy, P.K, Scanlon, M.J, Monks, S.A, Norton, R.S.
登録日1994-10-28
公開日1995-11-14
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Three-dimensional structure in solution of the polypeptide cardiac stimulant anthopleurin-A.
Biochemistry, 34, 1995
4QOG
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BU of 4qog by Molmil
Crystal structure of fad quinone reductase 2 in complex with melatonin at 1.4A
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
登録日2014-06-20
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of fad quinone reductase 2 in complex with melatonin at 1.4A
To be Published
8GCT
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BU of 8gct by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 6 ms
分子名称: Beta-lactamase, PHOSPHATE ION
著者Malla, T.N, Schmidt, M.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8AI7
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Structure of carbamoylated human butyrylcholinesterase upon reaction with 3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl N,N-dimethylcarbamate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol, ...
著者Brazzolotto, X, Meden, A, Knez, D, Gobec, S, Nachon, F.
登録日2022-07-25
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead.
Eur.J.Med.Chem., 247, 2023

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