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3X08
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BU of 3x08 by Molmil
Crystal structure of PIP4KIIBETA N203A complex with GMP
分子名称: GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
著者Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
登録日2014-10-09
公開日2015-10-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
3X07
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BU of 3x07 by Molmil
Crystal structure of PIP4KIIBETA N203A complex with AMP
分子名称: ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta
著者Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T.
登録日2014-10-09
公開日2015-10-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis
Mol.Cell, 61, 2016
6J8R
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BU of 6j8r by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.575 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6J8Q
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BU of 6j8q by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN4
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BU of 6jn4 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN5
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BU of 6jn5 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
分子名称: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN3
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BU of 6jn3 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.216 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
3DYR
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BU of 3dyr by Molmil
Crystal structure of E. coli thioredoxin mutant I76T in its oxidized form
分子名称: Thioredoxin-1
著者Ren, G, Bardwell, J.C.A, Xu, Z.
登録日2008-07-28
公開日2009-01-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Properties of the thioredoxin fold superfamily are modulated by a single amino acid residue.
J.Biol.Chem., 284, 2009
4ONC
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BU of 4onc by Molmil
Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640
分子名称: Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)
著者Feng, X, Chan, H.C, Ko, T.P.
登録日2014-01-28
公開日2014-04-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis
J.Am.Chem.Soc., 136, 2014
8I30
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BU of 8i30 by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 32j
分子名称: (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
著者Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2023-01-16
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023
5D7G
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BU of 5d7g by Molmil
Structure of human ATG5 E122D-ATG16L1 complex at 3.0 Angstroms
分子名称: Autophagy protein 5, Autophagy-related protein 16-1
著者Qiu, Y, Schulman, B.A.
登録日2015-08-13
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mutation in ATG5 reduces autophagy and leads to ataxia with developmental delay.
Elife, 5, 2016
3WZL
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BU of 3wzl by Molmil
ZEN lactonase
分子名称: Zearalenone hydrolase
著者Ko, T.P, Huang, C.H, Liu, J.R, Guo, R.T.
登録日2014-10-01
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea
RSC ADV, 4, 2014
3WZM
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BU of 3wzm by Molmil
ZEN lactonase mutant complex
分子名称: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Zearalenone hydrolase
著者Ko, T.P, Huang, C.H, Liu, J.R, Guo, R.T.
登録日2014-10-01
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea
RSC ADV, 4, 2014
5D8Z
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BU of 5d8z by Molmil
Structrue of a lucidum protein
分子名称: beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endoglucanase
著者Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W.
登録日2015-08-18
公開日2016-06-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
8GXE
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BU of 8gxe by Molmil
PTPN21 FERM PTP complex
分子名称: CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-19
公開日2023-09-27
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GWH
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BU of 8gwh by Molmil
PTPN21 PTP domain C1108S mutant in complex with SRC pTyr530 peptide
分子名称: SRC pTyr530 peptide, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-17
公開日2023-09-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GVV
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BU of 8gvv by Molmil
PTPN21 PTP domain C1108S mutant
分子名称: IODIDE ION, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-15
公開日2023-09-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GVL
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BU of 8gvl by Molmil
PTPN21 FERM
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-15
公開日2023-09-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
5D8W
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Structrue of a lucidum protein
分子名称: Endoglucanase
著者Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W.
登録日2015-08-18
公開日2016-06-29
最終更新日2018-05-23
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
3L15
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BU of 3l15 by Molmil
Human Tead2 transcriptional factor
分子名称: GLYCEROL, Transcriptional enhancer factor TEF-4
著者Tomchick, D.R, Luo, X, Tian, W.
登録日2009-12-10
公開日2010-04-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional analysis of the YAP-binding domain of human TEAD2.
Proc.Natl.Acad.Sci.USA, 107, 2010
8K5I
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BU of 8k5i by Molmil
The structure of SenA in complex with N,N,N-trimethyl-histidine and thioglucose
分子名称: 1-thio-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Liu, M, Yang, Y, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2023-07-21
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural insights into a novel nonheme iron-dependent oxygenase in selenoneine biosynthesis.
Int.J.Biol.Macromol., 256, 2023
4YHP
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BU of 4yhp by Molmil
Crystal structure of 309M3-B Fab in complex with H3K9me3 peptide
分子名称: Fab Heavy Chain, Fab Light Chain, H3K9me3 peptide
著者Hattori, T, Dementieva, I.S, Montano, S.P, Koide, S.
登録日2015-02-27
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Antigen clasping by two antigen-binding sites of an exceptionally specific antibody for histone methylation.
Proc.Natl.Acad.Sci.USA, 113, 2016
5B0J
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BU of 5b0j by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with beta-undecyl maltoside
分子名称: MoeN5,DNA-binding protein 7d, UNDECYL-MALTOSIDE
著者Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O.
登録日2015-10-30
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016
5B0M
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Structure of MoeN5-Sso7d fusion protein in complex with beta-dodecyl maltoside
分子名称: DODECYL-BETA-D-MALTOSIDE, MoeN5,DNA-binding protein 7d
著者Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O.
登録日2015-11-02
公開日2016-03-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5.
Angew.Chem.Int.Ed.Engl., 55, 2016

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