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4LWO
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BU of 4lwo by Molmil
Crystal structure of PRMT6
分子名称: Arginine N-methyltransferase, putative
著者Zhu, Y, Wang, C, Shi, Y, Teng, M.
登録日2013-07-28
公開日2014-02-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Crystal Structure of Arginine Methyltransferase 6 from Trypanosoma brucei
Plos One, 9, 2014
4IE6
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BU of 4ie6 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ZINC ION
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5036 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4IE7
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BU of 4ie7 by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with citrate and rhein (RHN)
分子名称: 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, CITRATE ANION, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6004 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4IDZ
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BU of 4idz by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-oxalylglycine (NOG)
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-OXALYLGLYCINE, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2012-12-13
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
4MEJ
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BU of 4mej by Molmil
Crystal structure of Lactobacillus helveticus purine deoxyribosyl transferase (PDT) with the tricyclic purine 8,9-dihydro-9-oxoimidazo[2,1-b]purine (N2,3-ethenoguanine)
分子名称: 3H-imidazo[2,1-b]purin-4(5H)-one, Nucleoside deoxyribosyltransferase, SULFATE ION
著者Paul, D, Seckute, J, Ealick, S.E.
登録日2013-08-26
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Glycosylation of a tricyclic purine analog at alternative sites by nucleoside 2 -deoxyribosyltransferases
Plos One, 2014
2PE0
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BU of 2pe0 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX
分子名称: 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2007-04-01
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
3L72
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BU of 3l72 by Molmil
Chicken cytochrome BC1 complex with kresoxim-I-dimethyl bound
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, CYTOCHROME B, ...
著者Huang, L, Zhang, Z, Berry, E.A.
登録日2009-12-27
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.
To be Published
2PE1
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BU of 2pe1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
分子名称: 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2007-04-01
公開日2007-06-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
3JVH
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BU of 3jvh by Molmil
Crystal structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 8395
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-09-16
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
6L56
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BU of 6l56 by Molmil
Fe(II) loaded Tegillarca granosa ferritin
分子名称: FE (II) ION, FE (III) ION, Ferritin, ...
著者Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
登録日2019-10-22
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85300577 Å)
主引用文献Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
6L4Z
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BU of 6l4z by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 6
分子名称: 4-(hydroxymethyl)benzoic acid, Genome polyprotein
著者Quek, J.P.
登録日2019-10-21
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
6KZY
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BU of 6kzy by Molmil
Cu(II) loaded Tegillarca granosa ferritin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Ferritin, ...
著者Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
登録日2019-09-25
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.30057073 Å)
主引用文献Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
6L55
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BU of 6l55 by Molmil
Recombinant Tegillarca granosa ferritin
分子名称: FE (III) ION, FORMIC ACID, Ferritin, ...
著者Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
登録日2019-10-22
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78304863 Å)
主引用文献Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
6L50
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BU of 6l50 by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 16
分子名称: 2-sulfanylidene-1,3-thiazolidin-4-one, NS3 protease, Serine protease subunit NS2B
著者Quek, J.P.
登録日2019-10-21
公開日2020-07-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification and structural characterization of small molecule fragments targeting Zika virus NS2B-NS3 protease.
Antiviral Res., 175, 2020
2PE2
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BU of 2pe2 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX
分子名称: 3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
著者Whitlow, M, Adler, M.
登録日2007-04-01
公開日2007-06-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: Optimization of BX-517.
Bioorg.Med.Chem.Lett., 17, 2007
6L58
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BU of 6l58 by Molmil
Cu(II) loaded Tegillarca granosa M-ferritin soaked with Fe(II)
分子名称: COPPER (II) ION, Ferritin
著者Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
登録日2019-10-22
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.90270972 Å)
主引用文献Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
6MN6
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BU of 6mn6 by Molmil
Crystal structure of the cytosolic domain of human CNNM3
分子名称: Metal transporter CNNM3
著者Chen, Y.S, Yang, M, Gehring, K.
登録日2018-10-01
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Mg2+-ATP Sensing in CNNM, a Putative Magnesium Transporter.
Structure, 28, 2020
3CWB
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BU of 3cwb by Molmil
Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ...
著者Huang, L, Cromartie, T, Viner, R, Crowley, P.J, Berry, E.A.
登録日2008-04-21
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D.
Bioorg.Med.Chem., 16, 2008

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