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7XTS
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BU of 7xts by Molmil
The apo structure of the engineered TfCut S130A
分子名称: SODIUM ION, alpha/beta hydrolase
著者Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
6KS1
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BU of 6ks1 by Molmil
Crystal structure of the human adiponectin receptor 2
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, ...
著者Tanabe, H, Fujii, Y, Nakamura, Y, Hosaka, T, Okada-Iwabu, M, Iwabu, M, Kimura-Someya, T, Shirouzu, M, Yamauchi, T, Kadowaki, T, Yokoyama, S.
登録日2019-08-22
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human adiponectin receptor AdipoR1 assumes closed and open structures.
Commun Biol, 3, 2020
6DLO
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BU of 6dlo by Molmil
Crystal structure of LRRK2 WD40 domain dimer
分子名称: Leucine-rich repeat serine/threonine-protein kinase 2
著者Zhang, P, Ru, H, Wang, L, Wu, H.
登録日2018-06-02
公開日2019-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the WD40 domain dimer of LRRK2.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5KM4
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BU of 5km4 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1)-5-Iodo-UMP complex
分子名称: 5-IODOURIDINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
6DND
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BU of 6dnd by Molmil
Crystal structure of wild-type (WT) human Glutamate oxaloacetate transaminase 1 (GOT1)
分子名称: Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ...
著者Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A.
登録日2018-06-06
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
5KLT
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BU of 5klt by Molmil
Prototypical P4[M]cNLS
分子名称: Importin subunit alpha-1, Prototypical P4[M]cNLS
著者Smith, K.M, Forwood, J.K.
登録日2016-06-25
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Contribution of the residue at position 4 within classical nuclear localization signals to modulating interaction with importins and nuclear targeting.
Biochim Biophys Acta Mol Cell Res, 1865, 2018
6DAK
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BU of 6dak by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
5KLZ
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BU of 5klz by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) AMP catalytic product complex
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM5
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BU of 5km5 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) triciribine 5'-monoposphate catalytic product complex
分子名称: 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, CHLORIDE ION, Histidine triad nucleotide-binding protein 2, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
6DPS
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BU of 6dps by Molmil
Crystal Structure of Neisseria meningitidis DsbD n-terminal domain in the oxidised form
分子名称: Thiol:disulfide interchange protein DsbD, ZINC ION
著者Heras, B, Smith, R.P, Paxman, J.J.
登録日2018-06-09
公開日2018-09-12
最終更新日2018-11-07
実験手法X-RAY DIFFRACTION (2.556 Å)
主引用文献Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens.
J. Biol. Chem., 293, 2018
6DQC
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BU of 6dqc by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献To be determined
To Be Published
7XTT
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BU of 7xtt by Molmil
The structure of engineered TfCut S130A in complex with MHET
分子名称: 1,2-ETHANEDIOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, SODIUM ION, ...
著者Yang, Y, Jiang, P.C, Huang, J.W, Chen, C.-C, Guo, R.-T.
登録日2022-05-18
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
6DDS
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BU of 6dds by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid
分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, ACETATE ION, Dihydrofolate reductase, ...
著者Hajian, B, Wright, D, Scocchera, E.
登録日2018-05-10
公開日2018-05-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
5KOA
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BU of 5koa by Molmil
Structure of Escherichia coli ZapD bound to the C-terminal tail of FtsZ
分子名称: C-terminal tail of FtsZ, Cell division protein ZapD
著者Schumacher, M.
登録日2016-06-29
公開日2017-01-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structure of Escherichia coli ZapD bound to the C-terminal tail of FtsZ
To Be Published
5KRM
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BU of 5krm by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the A-CD ring estrogen, (1S,7aS)-5-(2,5-difluoro-4-hydroxyphenyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-ol
分子名称: (1~{S},3~{a}~{R},7~{a}~{S})-5-[2,5-bis(fluoranyl)-4-oxidanyl-phenyl]-7~{a}-methyl-1,2,3,3~{a},4,7-hexahydroinden-1-ol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6DEK
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BU of 6dek by Molmil
Crystal structure of Candida albicans acetohydroxyacid synthase catalytic subunit
分子名称: Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Garcia, M.D, Guddat, L.W.
登録日2018-05-12
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.971 Å)
主引用文献Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6DER
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BU of 6der by Molmil
Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide metosulam
分子名称: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ...
著者Garcia, M.D, Guddat, L.W.
登録日2018-05-12
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.126 Å)
主引用文献Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5KR9
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BU of 5kr9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Coumestrol
分子名称: Coumestrol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-02-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6DXI
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BU of 6dxi by Molmil
Crystal structure of H-NOX protein from Nostoc sp V52W/L67W double-mutant.
分子名称: H-NOX, PROTOPORPHYRIN IX CONTAINING FE
著者Weichsel, A, Kievenaar, J.A, Montfort, W.R.
登録日2018-06-28
公開日2018-07-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of H-NOX domain from cyanobacteria Nostoc sp
to be published
5KRK
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BU of 5krk by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 4,4'-((5-bromo-2,3-dihydro-1H-inden-1-ylidene)methylene)diphenol
分子名称: 4-[(5-bromanyl-2,3-dihydroinden-1-ylidene)-(4-hydroxyphenyl)methyl]phenol, Estrogen receptor, NCOA2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-07-07
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
6DXR
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BU of 6dxr by Molmil
Structure of the Monoclinic-2 (Monocl-2) Crystal Form of Human Apolipoprotein C1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Apolipoprotein C-I
著者McPherson, A.
登録日2018-06-29
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of human apolipoprotein C-1 in four different crystal forms.
J. Lipid Res., 60, 2019
7Y01
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BU of 7y01 by Molmil
Crystal structure of ZmMCM10 in complex with 16nt ssDNA at 2.8. Angstrom resolution
分子名称: DNA (5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*C)-3'), MCM10 minichromosome maintenance deficient 10, ZINC ION
著者Du, X, Du, J.
登録日2022-06-03
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献AtMCM10 promotes DNA replication-coupled nucleosome assembly in Arabidopsis.
J Integr Plant Biol, 65, 2023
6D4C
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BU of 6d4c by Molmil
Crystal structure of Candida boidinii formate dehydrogenase V123G mutant complexed with NAD+ and azide
分子名称: AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ...
著者Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A.
登録日2018-04-17
公開日2019-04-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase
Acs Catalysis, 2019
7XXX
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BU of 7xxx by Molmil
Macaca mulatta galectin-10/Charcot-Leyden crystal protein
分子名称: Galectin-10/Charcot-Leyden crystal protein
著者Su, J.Y.
登録日2022-05-31
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma.
Acta Biochim.Biophys.Sin., 55, 2023
7XXZ
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BU of 7xxz by Molmil
Macaca mulatta galectin-10/Charcot-Leyden crystal protein with glycerol
分子名称: GLYCEROL, Galectin-10/Charcot-Leyden crystal protein
著者Su, J.Y.
登録日2022-05-31
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Glutathione disrupts galectin-10 Charcot-Leyden crystal formation to possibly ameliorate eosinophil-based diseases such as asthma.
Acta Biochim.Biophys.Sin., 55, 2023

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