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PDB: 6651 件
7M4I
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BU of 7m4i by Molmil
DNA Polymerase Lambda, dCTP:At Mn2+ Product State Ternary Complex, 420 min
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2021-03-21
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7M48
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DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 960 min
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2021-03-21
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
7MDC
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BU of 7mdc by Molmil
Full-length wildtype ClbP inhibited by hexanoyl-D-asparagine boronic acid
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ...
著者Velilla, J.A, Volpe, M.R, Gaudet, R.
登録日2021-04-03
公開日2022-09-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A small molecule inhibitor prevents gut bacterial genotoxin production.
Nat.Chem.Biol., 19, 2023
7MDE
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BU of 7mde by Molmil
Full-length S95A ClbP
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-lactamase, CHLORIDE ION, ...
著者Velilla, J.A, Volpe, M.R, Gaudet, R.
登録日2021-04-04
公開日2022-09-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of colibactin activation by the ClbP peptidase.
Nat.Chem.Biol., 19, 2023
7MDF
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BU of 7mdf by Molmil
Full-length S95A ClbP bound to N-acyl-D-asparagine analog
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, Beta-lactamase, CHLORIDE ION, ...
著者Velilla, J.A, Volpe, M.R, Gaudet, R.
登録日2021-04-04
公開日2022-09-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of colibactin activation by the ClbP peptidase.
Nat.Chem.Biol., 19, 2023
3SBF
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BU of 3sbf by Molmil
Crystal structure of the mutant P311A of enolase superfamily member from VIBRIONALES BACTERIUM complexed with Mg and D-Arabinonate
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, D-arabinonic acid, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
登録日2011-06-04
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the mutant P311A of enolase superfamily member from Vibrionales bacterium complexed with Mg and D-Arabinonate
To be Published
7M4L
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BU of 7m4l by Molmil
DNA Polymerase Lambda, TTPaS:At Mn2+ Product State Ternary Complex, 60 min
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*(YQS))-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2021-03-21
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
3SHL
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BU of 3shl by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V74KL25A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2011-06-16
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Redirection of internal ionizable residues by engineered cavities
To be Published
3SIZ
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BU of 3siz by Molmil
Crystal structure of the mutant S127A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase
著者Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
登録日2011-06-20
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.321 Å)
主引用文献Crystal structure of the mutant S127A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
To be Published
4QOI
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BU of 4qoi by Molmil
Crystal structure of FMN quinone reductase 2 in complex with melatonin at 1.55A
分子名称: FLAVIN MONONUCLEOTIDE, 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 (1.55 Å)
主引用文献Crystal structure of FMN quinone reductase 2 in complex with melatonin at 1.55A
To be Published
4QPB
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BU of 4qpb by Molmil
Catalytic domain of the antimicrobial peptidase lysostaphin from Staphylococcus simulans crystallized in the absence of phosphate
分子名称: 1,2-ETHANEDIOL, Lysostaphin, ZINC ION
著者Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M.
登録日2014-06-22
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans.
Febs J., 281, 2014
7NB5
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BU of 7nb5 by Molmil
Structure of EstD11 S144A in complex with naproxen p-nitrophenol ester
分子名称: (4-nitrophenyl) (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate, EstD11 S144A
著者Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
登録日2021-01-25
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
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
3T06
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BU of 3t06 by Molmil
Crystal Structure of the DH/PH fragment of PDZRHOGEF with N-terminal regulatory elements in complex with Human RhoA
分子名称: Rho guanine nucleotide exchange factor 11, Transforming protein RhoA
著者Bielnicki, J.A, Derewenda, U, Derewenda, Z.S.
登録日2011-07-19
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Insights into the Molecular Activation Mechanism of the RhoA-specific Guanine Nucleotide Exchange Factor, PDZRhoGEF.
J.Biol.Chem., 286, 2011
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
3TCY
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BU of 3tcy by Molmil
Crystallographic structure of phenylalanine hydroxylase from Chromobacterium violaceum (cPAH) bound to phenylalanine in a site distal to the active site
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, PHENYLALANINE, ...
著者Ronau, J.A, Abu-Omar, M.M, Das, C.
登録日2011-08-09
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献An additional substrate binding site in a bacterial phenylalanine hydroxylase.
Eur.Biophys.J., 42, 2013
7MJ0
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BU of 7mj0 by Molmil
LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with adenosine monophosphate AMP
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase
著者Chatterjee, S, Rankin, J.A, Lagishetty, S, Hu, J, Hausinger, R.P.
登録日2021-04-19
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献The LarB carboxylase/hydrolase forms a transient cysteinyl-pyridine intermediate during nickel-pincer nucleotide cofactor biosynthesis.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M8P
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BU of 7m8p by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 23
分子名称: 3C-like proteinase, 5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
著者Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
登録日2021-03-30
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease.
Structure, 29, 2021
7M8N
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BU of 7m8n by Molmil
CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 16
分子名称: 3C-like proteinase, 5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
著者Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
登録日2021-03-30
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease.
Structure, 29, 2021
3SOD
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BU of 3sod by Molmil
CHANGES IN CRYSTALLOGRAPHIC STRUCTURE AND THERMOSTABILITY OF A CU,ZN SUPEROXIDE DISMUTASE MUTANT RESULTING FROM THE REMOVAL OF BURIED CYSTEINE
分子名称: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
著者Mcree, D.E, Redford, S.M, Getzoff, E.D, Lepock, J.R, Hallewell, R.A, Tainer, J.A.
登録日1990-06-26
公開日1993-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Changes in crystallographic structure and thermostability of a Cu,Zn superoxide dismutase mutant resulting from the removal of a buried cysteine.
J.Biol.Chem., 265, 1990
7MLS
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BU of 7mls by Molmil
X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23)
分子名称: 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ...
著者Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2021-04-28
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
4P3B
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BU of 4p3b by Molmil
Crystal structure of the mouse C5a-desArg anaphylatoxin
分子名称: Complement C5, FORMIC ACID
著者Yatime, L, Schatz-Jakobsen, J.A, Andersen, G.R.
登録日2014-03-06
公開日2014-06-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional characterization of human and murine C5a anaphylatoxins.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
4P3L
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BU of 4p3l by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM CHROMOHALOBACTER SALEXIGENS DSM 3043 (Csal_2479), TARGET EFI-510085, WITH BOUND GLUCURONATE, SPG P6122
分子名称: CHLORIDE ION, TRAP dicarboxylate transporter, DctP subunit, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-03-09
公開日2014-04-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
3SXH
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BU of 3sxh by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92AL103A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2011-07-14
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS I92AL103A at cryogenic temperature
To be Published
4P1O
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Crystal structure of the Bateman domain of murine magnesium transporter CNNM2 bound to ATP-Mg
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metal transporter CNNM2
著者Corral-Rodriguez, M.A, Stuiver, M, Abascal-Palacios, G, Diercks, T, Oyenarte, I, Ereno-Orbea, J, Encinar, J.A, Spiwok, V, Terashima, H, Accardi, A, Muller, D, Martinez-Cruz, L.A.
登録日2014-02-27
公開日2015-04-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To Be Published

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件を2024-10-16に公開中

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