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7QCO
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BU of 7qco by Molmil
The structure of Photosystem I tetramer from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, CHLOROPHYLL A, ...
著者Semchonok, D.A, Mondal, J, Cooper, J.C, Schlum, K, Li, M, Amin, M, Sorzano, C.O.S, Ramirez-Aportela, E, Kastritis, P.L, Boekema, E.J, Guskov, A, Bruce, B.D.
登録日2021-11-24
公開日2022-04-06
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structure of a tetrameric photosystem I from Chroococcidiopsis TS-821, a thermophilic, unicellular, non-heterocyst-forming cyanobacterium.
Plant Commun., 3, 2022
6R9S
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BU of 6r9s by Molmil
Human Cyclophilin D in complex with bicyclic fragment
分子名称: (1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
著者Graedler, U.
登録日2019-04-04
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
6OD8
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BU of 6od8 by Molmil
Crystal structure of a putative aspartyl-tRNA synthetase from Leishmania major Friedlin
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Putative aspartyl-tRNA synthetase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-03-26
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a putative aspartyl-tRNA synthetase from Leishmania major Friedlin
to be published
6OX2
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BU of 6ox2 by Molmil
SETD3in Complex with an Actin Peptide with the Target Histidine Fully Methylated
分子名称: 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ...
著者Horton, J.R, Dai, S, Cheng, X.
登録日2019-05-13
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
4XYB
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BU of 4xyb by Molmil
GRANULICELLA M. FORMATE DEHYDROGENASE (FDH) IN COMPLEX WITH NADP(+) AND NaN3
分子名称: 1,2-ETHANEDIOL, AZIDE ION, Formate dehydrogenase, ...
著者Cendron, L, Fogal, S, Beneventi, E, Bergantino, E.
登録日2015-02-02
公開日2015-07-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural basis for double cofactor specificity in a new formate dehydrogenase from the acidobacterium Granulicella mallensis MP5ACTX8.
Appl.Microbiol.Biotechnol., 99, 2015
6S0G
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BU of 6s0g by Molmil
Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Robescu, M.R, Niero, M, Hall, M, Bergantino, E, Cendron, L.
登録日2019-06-14
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020
6P0B
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BU of 6p0b by Molmil
Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+
分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ...
著者Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
登録日2019-05-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
6VS6
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BU of 6vs6 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid (fragment 2)
分子名称: 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
7V3A
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BU of 7v3a by Molmil
Crystal structure of apo-NP exonuclease C409A
分子名称: MAGNESIUM ION, Nucleoprotein, ZINC ION
著者Hsiao, Y.Y, Huang, K.W.
登録日2021-08-10
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeted Covalent Inhibitors Allosterically Deactivate the DEDDh Lassa Fever Virus NP Exonuclease from Alternative Distal Sites.
Jacs Au, 1, 2021
7V38
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BU of 7v38 by Molmil
Crystal structure of NP exonuclease-PCMPS complex
分子名称: Nucleoprotein, PARA-MERCURY-BENZENESULFONIC ACID, ZINC ION
著者Hsiao, Y.Y, Huang, K.W.
登録日2021-08-10
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Targeted Covalent Inhibitors Allosterically Deactivate the DEDDh Lassa Fever Virus NP Exonuclease from Alternative Distal Sites.
Jacs Au, 1, 2021
6P0A
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BU of 6p0a by Molmil
Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 2 mM Mg2+
分子名称: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
登録日2019-05-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
6P0D
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BU of 6p0d by Molmil
Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, hydroxyl terminated DNA nick
分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ...
著者Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
登録日2019-05-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
6P0C
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BU of 6p0c by Molmil
Human DNA Ligase 1 Bound to an Adenylated, hydroxyl terminated DNA nick in EDTA
分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ...
著者Schellenberg, M.J, Tumbale, P.S, Riccio, A.A, Williams, R.S.
登録日2019-05-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
6XW5
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BU of 6xw5 by Molmil
Crystal structure of murine norovirus P domain in complex with Nanobody NB-5820
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Capsid protein, ...
著者Kilic, T, Sabin, C, Hansman, G.
登録日2020-01-23
公開日2020-04-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus.
J.Virol., 94, 2020
6P1Z
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BU of 6p1z by Molmil
Bacteriophage phiKZ gp163.1 PAAR repeat protein in complex with the C-terminal part of the T4 gp5 beta-helical domain
分子名称: Baseplate central spike complex protein gp5, Elaidic acid, MAGNESIUM ION, ...
著者Buth, S.A, Shneider, M.M, Leiman, P.G.
登録日2019-05-20
公開日2020-05-27
最終更新日2025-07-23
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Bacteriophage phiKZ gp163.1 PAAR repeat protein in complex with the C-terminal part of the T4 gp5 beta-helical domain
To Be Published
9L5X
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BU of 9l5x by Molmil
Crystal structure of Klebsiella pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabI) in complex with Triclosan
分子名称: 1,2-ETHANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
著者Biswas, S, Patra, A, Kushwaha, G.S, Suar, M.
登録日2024-12-23
公開日2025-10-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of Klebsiella pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabI) in complex with Triclosan
To Be Published
6U9U
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BU of 6u9u by Molmil
Structure of GM9_TH8seq732127 FAB
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ...
著者Singh, S, Liban, T.J, Pancera, M.
登録日2019-09-09
公開日2019-11-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
8EIW
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BU of 8eiw by Molmil
Cobalt(II)-substituted Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, COBALT (II) ION, ...
著者Zheng, C, Mathews, I.I, Boxer, S.G.
登録日2022-09-15
公開日2023-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Enhanced active-site electric field accelerates enzyme catalysis.
Nat.Chem., 15, 2023
8YEQ
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BU of 8yeq by Molmil
Crystal structure of L7/L12 Ribosomal Protein from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Large ribosomal subunit protein bL12
著者Panicker, L, Tripathi, P.
登録日2024-02-23
公開日2024-09-04
最終更新日2025-06-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure, biophysical characterisation, modeling and docking studies of bL12 ribosomal protein from Mycobacterium tuberculosis.
Arch.Biochem.Biophys., 771, 2025
4UTZ
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BU of 4utz by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with adipoylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-24
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
8CWL
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BU of 8cwl by Molmil
Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
著者Huang, W, Taylor, D.J.
登録日2022-05-19
公開日2023-03-08
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
6PNV
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BU of 6pnv by Molmil
1.42 Angstrom Resolution Crystal Structure of Translocation Protein TolB from Salmonella enterica
分子名称: POTASSIUM ION, SODIUM ION, Tol-Pal system protein TolB
著者Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-07-03
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献1.42 Angstrom Resolution Crystal Structure of Translocation Protein TolB from Salmonella enterica
To Be Published
8SV5
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BU of 8sv5 by Molmil
Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin
分子名称: 1,2-ETHANEDIOL, 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydroneopterin aldolase
著者Shaw, G.X, Li, Y, Yan, H, Ji, X.
登録日2023-05-15
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Bacillus anthracis dihydroneopterin aldolase in complex with 6-hydroxymethyl-7,8-dihydropterin
To be published
8YRL
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BU of 8yrl by Molmil
Crystal structure of Aspergillus fumigatus Galactofuranosylransferase (AfGfsA) in complex with UDP and galactofuranose
分子名称: GLYCEROL, Glycosyltransferase family 31 protein, MANGANESE (II) ION, ...
著者Okuno, A, Oka, T, Chihara, Y, Hirata, R, Kadooka, C, Teramoto, T, Hira, D, Kakuta, Y.
登録日2024-03-21
公開日2024-10-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Substrate binding and catalytic mechanism of UDP-alpha-D-galactofuranose: beta-galactofuranoside beta-(1→5)-galactofuranosyltransferase GfsA.
Pnas Nexus, 3, 2024
6VS9
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BU of 6vs9 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(piperidin-1-ylmethyl)benzoic acid(fragment 11)
分子名称: 3-[(piperidin-1-yl)methyl]benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020

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