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7ESI
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BU of 7esi by Molmil
Crystal structure of the collagenase unit of a Vibrio collagenase from Vibrio harveyi VHJR7 at 1. 8 angstrom resolution.
分子名称: CALCIUM ION, Collagenase unit (CU), Peptide P1, ...
著者Cao, H.Y, Wang, Y, Peng, M, Zhang, Y.Z.
登録日2021-05-11
公開日2022-02-09
最終更新日2023-02-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of Vibrio collagenase VhaC provides insight into the mechanism of bacterial collagenolysis.
Nat Commun, 13, 2022
7XQ4
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BU of 7xq4 by Molmil
Drimenyl diphosphate synthase from Streptomyces showdoensis (apo)
分子名称: SQHop_cyclase_C domain-containing protein
著者Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B.
登録日2022-05-06
公開日2023-03-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase.
J.Am.Chem.Soc., 144, 2022
4N0N
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BU of 4n0n by Molmil
Crystal structure of Arterivirus nonstructural protein 10 (helicase)
分子名称: MAGNESIUM ION, Replicase polyprotein 1ab, SULFATE ION, ...
著者Deng, Z, Chen, Z.
登録日2013-10-02
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase.
Nucleic Acids Res., 42, 2014
4JIK
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BU of 4jik by Molmil
X-RAY Crystal structure of compound 22a (R)-2-(4-chlorophenyl)-8-(piperidin-3-ylamino)imidazo[1,2-c]pyrimidine-5-carboxamide bound to human chk1 kinase domain
分子名称: 2-(4-chlorophenyl)-8-[(3S)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide, Serine/threonine-protein kinase Chk1
著者Fischmann, T.O.
登録日2013-03-06
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potency switch between CHK1 and MK2: discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4GQ9
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BU of 4gq9 by Molmil
Chikungunya virus neutralizing antibody 9.8B Fab fragment
分子名称: Chikungunya virus neutralizing antibody 9.8B Fab fragment heavy chain, Chikungunya virus neutralizing antibody 9.8B Fab fragment light chain
著者Sun, S, Rossmann, M.G.
登録日2012-08-22
公開日2013-07-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Structural analyses at pseudo atomic resolution of Chikungunya virus and antibodies show mechanisms of neutralization.
Elife, 2, 2013
8GNH
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BU of 8gnh by Molmil
Complex structure of BD-218 and Spike protein
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, Heavy chain of BD-218, ...
著者Wang, B, Xu, H, Su, X.D.
登録日2022-08-23
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Human antibody BD-218 has broad neutralizing activity against concerning variants of SARS-CoV-2.
Int.J.Biol.Macromol., 227, 2023
4OVT
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BU of 4ovt by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM OCHROBACTERIUM ANTHROPI (Oant_3902), TARGET EFI-510153, WITH BOUND L-FUCONATE
分子名称: 6-deoxy-L-galactonic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-12-14
公開日2014-01-08
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
4OAN
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BU of 4oan by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from rhodopseudomonas palustris HaA2 (RPB_2686), TARGET EFI-510221, with density modeled as (S)-2-hydroxy-2-methyl-3-oxobutanoate ((S)-2-Acetolactate)
分子名称: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, GLYCEROL, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-01-05
公開日2014-01-22
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (1.35 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
5XLP
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BU of 5xlp by Molmil
Anti-CRISPR proteins AcrF1/2 bound to Csy surveillance complex with a 20nt spacer crRNA backbone region
分子名称: CRISPR-associated protein Csy3, Uncharacterized protein AcrF1, crRNA with 20nt spacer sequence
著者Peng, R, Shi, Y, Gao, G.F.
登録日2017-05-11
公開日2018-01-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Alternate binding modes of anti-CRISPR viral suppressors AcrF1/2 to Csy surveillance complex revealed by cryo-EM structures.
Cell Res., 27, 2017
5XOE
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BU of 5xoe by Molmil
Crystal Structure of the apo Staphylococcus aureus phosphofructokinase
分子名称: ATP-dependent 6-phosphofructokinase
著者Wang, C, Tian, T, Zang, J.
登録日2017-05-27
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
4P86
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BU of 4p86 by Molmil
Structure of PyrR protein from Bacillus subtilis with GMP
分子名称: Bifunctional protein PyrR, GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-30
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4PAF
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BU of 4paf by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RUEGERIA POMEROYI DSS-3 (SPO1773, TARGET EFI-510260) WITH BOUND 3,4-DIHYDROXYBENZOATE
分子名称: 3,4-DIHYDROXYBENZOIC ACID, MALONATE ION, TRAP dicarboxylate transporter, ...
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2014-04-08
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 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
4PBH
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BU of 4pbh by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RUEGERIA POMEROYI DSS-3 (SPO1773, TARGET EFI-510260) WITH BOUND BENZOIC ACID
分子名称: BENZOIC ACID, 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2014-04-12
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 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
4PDD
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BU of 4pdd by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_0088, TARGET EFI-510167) BOUND TO D-ERYTHRONATE
分子名称: (2R,3R)-2,3,4-trihydroxybutanoic acid, FORMIC ACID, MALONIC ACID, ...
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2014-04-18
公開日2014-05-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 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
4PF8
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BU of 4pf8 by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1 (TARGET EFI-510299) WITH BOUND BETA-D-GALACTURONATE
分子名称: CHLORIDE ION, TRAP-T family transporter, DctP (Periplasmic binding) 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2014-04-28
公開日2014-05-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 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
4PH0
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BU of 4ph0 by Molmil
capsid protein from bovine leukemia virus
分子名称: BLV capsid
著者Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A.
登録日2014-05-03
公開日2015-06-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7497 Å)
主引用文献STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015
4P84
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BU of 4p84 by Molmil
Structure of engineered PyrR protein (VIOLET PyrR)
分子名称: Bifunctional protein PyrR, GLYCEROL, SULFATE ION
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-30
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
8TAF
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BU of 8taf by Molmil
Autographa californica multiple nucleopolyhedrovirus VP39
分子名称: Major viral capsid protein, ZINC ION
著者Benning, F.M.C, Chao, L.H.
登録日2023-06-27
公開日2024-01-10
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Helical reconstruction of VP39 reveals principles for baculovirus nucleocapsid assembly.
Nat Commun, 15, 2024
5XLO
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BU of 5xlo by Molmil
Anti-CRISPR proteins AcrF1/2 bound to Csy surveillance complex with a 32nt spacer crRNA backbone region
分子名称: CRISPR-associated protein Csy3, Uncharacterized protein AcrF1, crRNA with 32nt spacer sequence
著者Peng, R, Shi, Y, Gao, G.F.
登録日2017-05-11
公開日2018-01-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Alternate binding modes of anti-CRISPR viral suppressors AcrF1/2 to Csy surveillance complex revealed by cryo-EM structures.
Cell Res., 27, 2017
8TAD
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BU of 8tad by Molmil
RTA in complex with inhibitor RUNT-206
分子名称: (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, NONAETHYLENE GLYCOL, ...
著者Rudolph, M.J, Tumer, N.
登録日2023-06-27
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
8T9V
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BU of 8t9v by Molmil
RTA-RUNT-59 complex structure
分子名称: (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, NONAETHYLENE GLYCOL, Ricin
著者Rudolph, M.J, Tumer, N.
登録日2023-06-26
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
8TAB
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BU of 8tab by Molmil
RTA-PD00589
分子名称: 1,2-ETHANEDIOL, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, ...
著者Rudolph, M.J, Tumer, N.
登録日2023-06-27
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin.
Bioorg.Med.Chem., 100, 2024
5XZ9
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BU of 5xz9 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent 6-phosphofructokinase, GLYCEROL
著者Wang, C.L, Tian, T, Zang, J.Y.
登録日2017-07-12
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
5XZ7
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BU of 5xz7 by Molmil
Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate, the ATP analogue
分子名称: 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, DI(HYDROXYETHYL)ETHER, ...
著者Wang, C.L, Tian, T, Zang, J.Y.
登録日2017-07-11
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
7WFD
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BU of 7wfd by Molmil
Left PSI in the cyclic electron transport supercomplex NDH-PSI from Arabidopsis
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Pan, X, Li, M.
登録日2021-12-26
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Supramolecular assembly of chloroplast NADH dehydrogenase-like complex with photosystem I from Arabidopsis thaliana.
Mol Plant, 15, 2022

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