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7OG1
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BU of 7og1 by Molmil
AP2 clathrin adaptor core in complex with cargo peptide and FCHO2
分子名称: AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ...
著者Zaccai, N.R, Kelly, B.T, Evans, P.R, Owen, D.J.
登録日2021-05-05
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献FCHO controls AP2's initiating role in endocytosis through a PtdIns(4,5)P 2 -dependent switch.
Sci Adv, 8, 2022
7VYZ
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BU of 7vyz by Molmil
Structure of the M. tuberculosis HtrA S367A mutant
分子名称: Probable serine protease HtrA1
著者Gupta, A.K, Gopal, B.
登録日2021-11-15
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
5LC9
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BU of 5lc9 by Molmil
Structure of Polyphosphate Kinase from Meiothermus ruber Apo-form
分子名称: PHOSPHATE ION, Polyphosphate:AMP phosphotransferase, SULFATE ION
著者Kemper, F, Einsle, O, Gerhardt, S.
登録日2016-06-20
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5X1J
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BU of 5x1j by Molmil
Vanillate/3-O-methylgallate O-demethylase, LigM, vanillate complex form
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-HYDROXY-3-METHOXYBENZOATE, ...
著者Harada, A, Senda, T.
登録日2017-01-26
公開日2017-05-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6
FEBS J., 284, 2017
5ETV
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BU of 5etv by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.72 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-18
公開日2016-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
7OXH
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BU of 7oxh by Molmil
ttSlyD with pseudo-wild-type S2 peptide
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 30S ribosomal protein S2, CHLORIDE ION, ...
著者Pazicky, S, Lei, J, Loew, C.
登録日2021-06-22
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Impact of distant peptide substrate residues on enzymatic activity of SlyD.
Cell.Mol.Life Sci., 79, 2022
8D6S
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BU of 8d6s by Molmil
Rana catesbeiana saxiphilin mutant - Y558A:STX (co-crystal)
分子名称: Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
著者Chen, Z, Zakrzewska, S, Minor, D.L.
登録日2022-06-06
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
8KCK
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De novo design protein -N9
分子名称: De novo design protein -N9
著者Wang, S, Liu, Y.
登録日2023-08-07
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献De novo design protein -N9
To Be Published
7ODU
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BU of 7odu by Molmil
Natural killer cell receptor NKR-P1B from Rattus norvegicus in complex with its cognate ligand Clr-11
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, C-type lectin domain family 2 member D11, ...
著者Skalova, T, Blaha, J, Kalouskova, B, Skorepa, O, Vanek, O, Dohnalek, J.
登録日2021-04-30
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Natural killer cell receptor NKR-P1B from Rattus norvegicus in complex with its cognate ligand Clr-11
To Be Published
7OHG
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BU of 7ohg by Molmil
Structure of Thermus thermophilus Rel bound to the non-hydrolasable alarmone analogue
分子名称: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Garcia-Pino, A.
登録日2021-05-11
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.507 Å)
主引用文献Structure of Thermus thermophilus Rel bound to the non-hydrolasable alarmone analogue
To Be Published
5ETS
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BU of 5ets by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.95 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,9-dihydropurin-6-one, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-18
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
5F5K
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BU of 5f5k by Molmil
E.Coli GlpG Y205F mutant complexed with aldehyde inhibitor in DMPC/CHAPSO bicelle
分子名称: Peptidic derivative of Gurken: ACE-ARG-LYS-VAL-ARG-MET-ALA-aldehyde, Rhomboid protease GlpG
著者Urban, S, Cho, S, Dickey, S.W.
登録日2015-12-04
公開日2016-02-10
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures and Inhibition Kinetics Reveal a Two-Stage Catalytic Mechanism with Drug Design Implications for Rhomboid Proteolysis.
Mol.Cell, 61, 2016
8D6M
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BU of 8d6m by Molmil
Nanorana parkeri saxiphilin:STX (co-crystal)
分子名称: PENTAETHYLENE GLYCOL, Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
著者Zakrzewska, S, Chen, Z, Minor, D.L.
登録日2022-06-06
公開日2022-11-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
7OGW
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BU of 7ogw by Molmil
Q9A mutant of Hfq protein from Neisseria meningitidis
分子名称: RNA-binding protein Hfq
著者Moche, M, Karlsson, J, Loh, E.
登録日2021-05-07
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Crystal structures of wild type, Q9A and R17A single mutant Hfq structures from Neisseria meningitidis
To Be Published
5ETT
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BU of 5ett by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.55 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-[(2-azanyl-6-oxidanylidene-1,9-dihydropurin-8-yl)sulfanylmethyl]-3-fluoranyl-benzenecarbonitrile, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-18
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
8KC0
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BU of 8kc0 by Molmil
De novo design protein -NB8
分子名称: De novo design protein -NB8
著者Wang, S, Liu, Y.
登録日2023-08-05
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献De novo design protein -NB8
To Be Published
5ETQ
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BU of 5etq by Molmil
S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.96 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 4-{[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]methyl}benzonitrile, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-18
公開日2016-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
8D6U
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BU of 8d6u by Molmil
Rana catesbeiana saxiphilin:F-STX (soaked)
分子名称: (2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid, Saxiphilin
著者Chen, Z, Zakrzewska, S, Minor, D.L.
登録日2022-06-06
公開日2022-11-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Definition of a saxitoxin (STX) binding code enables discovery and characterization of the anuran saxiphilin family.
Proc.Natl.Acad.Sci.USA, 119, 2022
8KBH
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BU of 8kbh by Molmil
Structure of CbTad1 complexed with 2',3'-cGAMP and cA3
分子名称: (2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE, Thoeris anti-defense 1, cGAMP
著者Xiao, Y, Feng, Y.
登録日2023-08-04
公開日2024-08-21
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structure of CbTad1 complexed with 2',3'-cGAMP and cA3
To Be Published
5LFX
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BU of 5lfx by Molmil
Lambda-[Ru(phen)2(dppz-11,12-Me)]2+ bound to a short substituted DNA sequence
分子名称: BARIUM ION, DNA (5'-D(*(CBR)P*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*G)-3'), ...
著者Hall, J.P, Cardin, C.J.
登録日2016-07-04
公開日2017-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Guanine Can Direct Binding Specificity of Ru-dipyridophenazine (dppz) Complexes to DNA through Steric Effects.
Chemistry, 23, 2017
5ETP
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BU of 5etp by Molmil
E. coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.05 angstrom resolution
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-azanyl-8-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,9-dihydropurin-6-one, CALCIUM ION, ...
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2015-11-17
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.
J.Med.Chem., 59, 2016
8KBJ
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Structure of HgmTad2 complexed with 1',2'-cADPR
分子名称: (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Inhibitor of Type II CRISPR-Cas system
著者Xiao, Y, Feng, Y.
登録日2023-08-04
公開日2024-08-21
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of HgmTad2 complexed with 1',2'-cADPR
To Be Published
5LHA
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BU of 5lha by Molmil
Amine transaminase crystal structure from an uncultivated Pseudomonas species in the PMP-bound form
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, OMEGA TRANSAMINASE
著者Reddem, E, Thunnissen, A.M.W.H.
登録日2016-07-10
公開日2017-03-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Explaining Operational Instability of Amine Transaminases: Substrate-Induced Inactivation Mechanism and Influence of Quaternary Structure on Enzyme-Cofactor Intermediate Stability.
Acs Catalysis, 7, 2017
8KBG
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BU of 8kbg by Molmil
Structure of CbTad1 complexed with 2',3'-cGAMP
分子名称: Thoeris anti-defense 1, cGAMP
著者Xiao, Y, Feng, Y.
登録日2023-08-04
公開日2024-08-21
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure of CbTad1 complexed with 2',3'-cGAMP
To Be Published
7OG8
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BU of 7og8 by Molmil
Wild-type Hfq protein from Neisseria meningitidis
分子名称: RNA-binding protein Hfq
著者Moche, M, Karlsson, J, Loh, E.
登録日2021-05-06
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structures of wild type, Q9A and R17A single mutant Hfq structures from Neisseria meningitidis
To Be Published

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件を2024-10-02に公開中

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