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6GK6
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BU of 6gk6 by Molmil
Crystal structure of myxobacterial cytochrome P450 CYP267B1 in complex with myristic acid
分子名称: Cytochrome P450 CYP267B1 protein, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE
著者Jozwik, I.K, Thunnissen, A.M.W.H.
登録日2018-05-18
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into oxidation of medium-chain fatty acids and flavanone by myxobacterial cytochrome P450 CYP267B1.
Biochem. J., 475, 2018
2NVC
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BU of 2nvc by Molmil
Human Aldose Reductase complexed with novel naphtho[1,2-d]isothiazole acetic acid derivative (3)
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID
著者Steuber, H, Heine, A, Klebe, G.
登録日2006-11-12
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Evidence for a novel binding site conformer of aldose reductase in ligand-bound state
J.Mol.Biol., 369, 2007
6GNT
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BU of 6gnt by Molmil
Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand
分子名称: 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ...
著者Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
登録日2018-05-31
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
5EKH
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Human Carbonic Anhydrase II complexed with a two-faced guest
分子名称: 4-(butylaminomethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Roose, B.W, Dmochowksi, I.J.
登録日2015-11-03
公開日2016-01-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
3P9L
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BU of 3p9l by Molmil
Crystal Structure of H2-Kb in complex with the chicken ovalbumin epitope OVA
分子名称: Beta-2-microglobulin, CALCIUM ION, H-2 class I histocompatibility antigen, ...
著者Wesselingh, R, Gras, S, Guillonneau, C, Turner, S.J, Rossjohn, J.
登録日2010-10-18
公開日2011-10-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Affinity thresholds for naive CD8+ CTL activation by peptides and engineered influenza A viruses
J.Immunol., 187, 2011
3K06
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BU of 3k06 by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, K+ complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK
著者Jiang, Y, Derebe, M.G.
登録日2009-09-24
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
6HX5
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Selenols: a new class of Carbonic Anhydrase inhibitors
分子名称: Carbonic anhydrase 2, ZINC ION, benzeneselenol
著者Angeli, A, Ferraroni, M.
登録日2018-10-16
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Selenols: a new class of carbonic anhydrase inhibitors.
Chem. Commun. (Camb.), 55, 2019
3K0G
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Crystal Structure of CNG mimicking NaK mutant, NaK-ETPP, Na+ complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION
著者Jiang, Y, Derebe, M.G.
登録日2009-09-24
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
6R3L
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BU of 6r3l by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and cinnamic acid following decarboxylation (Int3)
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-20
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
分子名称: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
6R3C
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BU of 6r3c by Molmil
Solution structure of birch pollen allergen Bet v 1a
分子名称: Major pollen allergen Bet v 1-A
著者Schweimer, K.
登録日2019-03-20
公開日2019-07-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Identification of a natural ligand of the hazel allergen Cor a 1.
Sci Rep, 9, 2019
6RB1
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BU of 6rb1 by Molmil
Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1
分子名称: (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Battistutta, R, Lolli, G.
登録日2019-04-08
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
6ZK1
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BU of 6zk1 by Molmil
Plant nucleoside hydrolase - ZmNRh2b enzyme
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
6ZK2
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BU of 6zk2 by Molmil
Plant nucleoside hydrolase - ZmNRh2b in complex with forodesine
分子名称: 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
6ZK3
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BU of 6zk3 by Molmil
Plant nucleoside hydrolase - ZmNRh2b in complex with ribose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
6ZK4
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BU of 6zk4 by Molmil
Plant nucleoside hydrolase - ZmNRh2b with a bound adenine
分子名称: 1,2-ETHANEDIOL, ADENINE, CALCIUM ION, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
6ZK5
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BU of 6zk5 by Molmil
Plant nucleoside hydrolase - ZmNRh3 enzyme in complex with forodesine
分子名称: 1,2-ETHANEDIOL, 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
6HOT
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BU of 6hot by Molmil
Human protein kinase CK2 alpha in complex with ferulic aldehyde
分子名称: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ...
著者Battistutta, R, Lolli, G.
登録日2018-09-18
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
3BLU
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BU of 3blu by Molmil
crystal structure YopH complexed with inhibitor PVS
分子名称: (ethenylsulfonyl)benzene, Tyrosine-protein phosphatase yopH
著者Liu, S, Zhang, Z.-Y.
登録日2007-12-11
公開日2008-10-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aryl vinyl sulfonates and sulfones as active site-directed and mechanism-based probes for protein tyrosine phosphatases
J.Am.Chem.Soc., 130, 2008
3MOR
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BU of 3mor by Molmil
Crystal structure of Cathepsin B from Trypanosoma Brucei
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ...
著者Cupelli, K, Stehle, T.
登録日2010-04-23
公開日2011-11-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
2PM1
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BU of 2pm1 by Molmil
Derivative of human alpha-defensin 1 (HNP1)
分子名称: Neutrophil defensin 1 (HNP-1) (HP-1) (HP1) (Defensin, alpha 1)
著者Lubkowski, J, Pazgier, M, Lu, W.
登録日2007-04-20
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Derivative of human alpha-defensin 1 (HNP1)
To be Published
1H9H
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BU of 1h9h by Molmil
COMPLEX OF EETI-II WITH PORCINE TRYPSIN
分子名称: CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR II
著者Kraetzner, R, Wentzel, A, Kolmar, H, Uson, I.
登録日2001-03-12
公開日2004-07-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold
Acta Crystallogr.,Sect.D, 61, 2005
5GMM
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Crystal structure of human Carbonic anhydrase I in complex with polmacoxib
分子名称: 4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide, Carbonic anhydrase 1, ZINC ION
著者Kim, H.T, Hwang, K.Y.
登録日2016-07-14
公開日2017-05-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Structural insight into the inhibition of carbonic anhydrase by the COX-2-selective inhibitor polmacoxib (CG100649).
Biochem. Biophys. Res. Commun., 478, 2016
3K08
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BU of 3k08 by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-NTPP, Na+ complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein NaK, SODIUM ION
著者Jiang, Y, Derebe, M.G.
登録日2009-09-24
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
Proc.Natl.Acad.Sci.USA, 108, 2011
5GOZ
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Crystal structure of ZIKV NS5 Methyltransferase in complex with GTP and SAH
分子名称: GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, PYROPHOSPHATE 2-, ...
著者Zhang, C, Jin, T.
登録日2016-07-30
公開日2016-12-07
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Structure of the NS5 methyltransferase from Zika virus and implications in inhibitor design
Biochem. Biophys. Res. Commun., 492, 2017

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