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5VYY
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BU of 5vyy by Molmil
Structure of human Hsp90-alpha bound to resorcinylic inhibitor BnIm
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Heat shock protein HSP 90-alpha, ...
著者Que, N.S, Gewirth, D.T.
登録日2017-05-26
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
5DGA
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BU of 5dga by Molmil
CRYSTAL STRUCTURE OF HUMAN DNA POLYMERASE ETA EXTENDING AN 1,N6-ETHENODEOXYADENOSINE : dT PAIR BY INSERTING dTMPNPP OPPOSITE TEMPLATE dA
分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), DNA (5'-D(*CP*AP*TP*AP*(EDA)P*TP*GP*AP*CP*GP*CP*T)-3'), ...
著者Patra, A, Egli, M.
登録日2015-08-27
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Kinetic Analysis of Miscoding Opposite the DNA Adduct 1,N6-Ethenodeoxyadenosine by Human Translesion DNA Polymerase eta.
J.Biol.Chem., 291, 2016
6LTU
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BU of 6ltu by Molmil
Crystal structure of Cas12i2 ternary complex with double Mg2+ bound in catalytic pocket
分子名称: 1,2-ETHANEDIOL, Cas12i2, DNA (35-MER), ...
著者Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y.
登録日2020-01-23
公開日2020-10-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
5VCR
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BU of 5vcr by Molmil
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with bound uranium dioxide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, CHLORIDE ION, ...
著者Sanders, J.H, Kadirvelraj, R, Wood, Z.A.
登録日2017-03-31
公開日2018-04-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5CLU
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BU of 5clu by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE
分子名称: (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者D'Ambrosio, K, De Simone, G.
登録日2015-07-16
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases.
Chemistry, 22, 2016
7Z28
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BU of 7z28 by Molmil
High-resolution crystal structure of ERAP1 with bound bestatin analogue inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Giastas, P, Papakyriakou, A, Stratikos, E, Vourloumis, D.
登録日2022-02-26
公開日2022-07-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Selective Nanomolar Inhibitors for Insulin-Regulated Aminopeptidase Based on alpha-Hydroxy-beta-amino Acid Derivatives of Bestatin.
J.Med.Chem., 65, 2022
6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
分子名称: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
4BHT
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BU of 4bht by Molmil
Structural Determinants of Cofactor Specificity and Domain Flexibility in Bacterial Glutamate Dehydrogenases
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NADP-SPECIFIC GLUTAMATE DEHYDROGENASE, ...
著者Oliveira, T, Sharkey, M, Engel, P, Khan, A.
登録日2013-04-06
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Nadp(+) -Dependent Glutamate Dehydrogenase from Escherichia Coli: Reflections on the Basis of Coenzyme Specificity in the Family of Glutamate Dehydrogenases.
FEBS J., 280, 2013
6N1T
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BU of 6n1t by Molmil
Toxoplasma gondii TS-DHFR in complex with selective inhibitor 3
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine, ...
著者Hopper, A.T, Brockman, A, Wise, A, Gould, J, Barks, J, Radke, J.B, Sibley, L.D, Zou, Y, Thomas, S.B.
登録日2018-11-11
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Discovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis.
J. Med. Chem., 62, 2019
4O5H
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BU of 4o5h by Molmil
X-ray crystal structure of a putative phenylacetaldehyde dehydrogenase from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Phenylacetaldehyde dehydrogenase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-19
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystal structure of a putative phenylacetaldehyde dehydrogenase from Burkholderia cenocepacia
TO BE PUBLISHED
2WCW
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BU of 2wcw by Molmil
1.6A resolution structure of Archaeoglobus fulgidus Hjc, a Holliday junction resolvase from an archaeal hyperthermophile
分子名称: ACETATE ION, AMMONIUM ION, HJC
著者Carolis, C, Koehler, C, Sauter, C, Basquin, J, Suck, D, Toeroe, I.
登録日2009-03-17
公開日2009-03-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献1.6 A Resolution Structure of Archaeoglobus Fulgidus Hjc, a Holliday Junction Resolvase from an Archaeal Hyperthermophile
To be Published
6MAZ
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BU of 6maz by Molmil
Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in complex with inhibitor IMP-0366
分子名称: 1,2-ETHANEDIOL, 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-08-29
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors.
Cell Chem Biol, 26, 2019
6NAU
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BU of 6nau by Molmil
1.55 Angstrom Resolution Crystal Structure of 6-phosphogluconolactonase from Klebsiella pneumoniae
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-phosphogluconolactonase, CHLORIDE ION
著者Minasov, G, Shuvalova, L, Pshenychnyi, S, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-12-06
公開日2018-12-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
6CEO
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BU of 6ceo by Molmil
Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor.
分子名称: 1,2-ETHANEDIOL, Heat shock protein HSP 90-alpha, MAGNESIUM ION, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2018-02-12
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
6MQA
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BU of 6mqa by Molmil
Structure of HIV-1 CA P207S
分子名称: CHLORIDE ION, Capsid protein, IODIDE ION
著者Smaga, S.S, Xiong, Y.
登録日2018-10-09
公開日2019-06-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.199 Å)
主引用文献MxB Restricts HIV-1 by Targeting the Tri-hexamer Interface of the Viral Capsid.
Structure, 27, 2019
6CIS
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BU of 6cis by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG047
分子名称: 1,2-ETHANEDIOL, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
6MVY
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BU of 6mvy by Molmil
NavAb voltage-gated sodium channel, residues 1-226, crystallized in the presence of Class 1B Anti-arrhythmic drug Lidocaine
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, SULFATE ION
著者Lenaeus, M.J, Catterall, W.A.
登録日2018-10-28
公開日2018-12-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Fenestrations control resting-state block of a voltage-gated sodium channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3WKT
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BU of 3wkt by Molmil
Complex structure of an open form of NADPH-cytochrome P450 reductase and heme oxygenase-1
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1, ...
著者Sugishima, M, Sato, H, Higashimoto, Y, Harada, J, Wada, K, Fukuyama, K, Noguchi, M.
登録日2013-10-31
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Structural basis for the electron transfer from an open form of NADPH-cytochrome P450 oxidoreductase to heme oxygenase.
Proc.Natl.Acad.Sci.USA, 111, 2014
6CD4
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BU of 6cd4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG046
分子名称: 1,2-ETHANEDIOL, 2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4
著者Xu, X, Blacklow, S.C.
登録日2018-02-08
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
3WQS
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BU of 3wqs by Molmil
Crystal structure of pfdxr complexed with inhibitor-126
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MAGNESIUM ION, ...
著者Tanaka, N, Umeda, T.
登録日2014-01-31
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
7C5K
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BU of 7c5k by Molmil
Crystal Structure of C150S mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with G3P at 2.69 Angstrom resolution
分子名称: 3-PHOSPHOGLYCERIC ACID, GLYCERALDEHYDE-3-PHOSPHATE, Glyceraldehyde-3-phosphate dehydrogenase, ...
著者Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
登録日2020-05-20
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
2QG4
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BU of 2qg4 by Molmil
Crystal structure of human UDP-glucose dehydrogenase product complex with UDP-glucuronate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Kavanagh, K.L, Guo, K, Bunkoczi, G, Savitsky, P, Pilka, E, Bhatia, C, Niesen, F, Smee, C, Berridge, G, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-06-28
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
3URH
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BU of 3urh by Molmil
Crystal structure of a dihydrolipoamide dehydrogenase from Sinorhizobium meliloti 1021
分子名称: 1,2-ETHANEDIOL, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-11-22
公開日2011-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a dihydrolipoamide dehydrogenase from Sinorhizobium meliloti 1021
TO BE PUBLISHED
3IMF
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BU of 3imf by Molmil
1.99 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor'
分子名称: ACETATE ION, Short chain dehydrogenase
著者Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Gordon, E, Peterson, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-08-10
公開日2009-08-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献1.99 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor'
To be Published
7LD8
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BU of 7ld8 by Molmil
Crystal Structure of Putative non-heme bromoperoxidase BpoC from Mycobacterium tuberculosis H37Rv
分子名称: 1,2-ETHANEDIOL, Putative non-heme bromoperoxidase BpoC, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-01-12
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Putative non-heme bromoperoxidase BpoC from Mycobacterium tuberculosis H37Rv
to be published

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件を2025-10-15に公開中

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