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5I96
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BU of 5i96 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.
分子名称: 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ...
著者Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
2OBT
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BU of 2obt by Molmil
Crystal Structures of P Domain of Norovirus VA387 in Complex with Blood Group Trisaccharides type B
分子名称: Capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose
著者Cao, S, Li, X, Rao, Z.
登録日2006-12-20
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Recognition of Blood Group Trisaccharides by Norovirus
J.Virol., 81, 2007
2OBR
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BU of 2obr by Molmil
Crystal Structures of P Domain of Norovirus VA387
分子名称: Capsid protein
著者Cao, S, Lou, Z, Jiang, X, Zhang, X.C, Li, X, Rao, Z.
登録日2006-12-20
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the recognition of blood group trisaccharides by norovirus.
J.Virol., 81, 2007
5I95
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BU of 5i95 by Molmil
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid
分子名称: 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ...
著者Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K.
登録日2016-02-19
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
2OYS
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BU of 2oys by Molmil
Crystal Structure of SP1951 protein from Streptococcus pneumoniae in complex with FMN, Northeast Structural Genomics Target SpR27
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, Hypothetical protein SP1951
著者Forouhar, F, Lee, I, Vorobiev, S.M, Janjua, H, Satterwhite, R, Liu, J, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-02-22
公開日2007-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional insights from structural genomics.
J.Struct.Funct.Genom., 8, 2007
4M5E
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BU of 4m5e by Molmil
Tse3 structure
分子名称: CADMIUM ION, CALCIUM ION, GLYCEROL, ...
著者Qian, Y.
登録日2013-08-08
公開日2014-04-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
7YTJ
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BU of 7ytj by Molmil
Cryo-EM structure of VTC complex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, INOSITOL HEXAKISPHOSPHATE, PHOSPHATE ION, ...
著者Guan, Z.Y, Chen, J, Liu, R.W, Chen, Y.K, Xing, Q, Du, Z.M, Liu, Z.
登録日2022-08-15
公開日2023-02-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The cytoplasmic synthesis and coupled membrane translocation of eukaryotic polyphosphate by signal-activated VTC complex.
Nat Commun, 14, 2023
5UKG
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BU of 5ukg by Molmil
Crystal Structure of the genetically encoded calcium indicator K-GECO
分子名称: CALCIUM ION, K-GECO
著者Schreiter, E.R.
登録日2017-01-22
公開日2018-02-07
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献A genetically encoded Ca2+indicator based on circularly permutated sea anemone red fluorescent protein eqFP578.
BMC Biol., 16, 2018
8INZ
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BU of 8inz by Molmil
Cryo-EM structure of human HCN3 channel in apo state
分子名称: 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3
著者Yu, B, Lu, Q.Y, Li, J, Zhang, J.
登録日2023-03-10
公開日2024-04-10
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Cryo-EM structure of human HCN3 channel and its regulation by cAMP.
J.Biol.Chem., 300, 2024
4OBW
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BU of 4obw by Molmil
crystal structure of yeast Coq5 in the SAM bound form
分子名称: 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, S-ADENOSYLMETHIONINE, ...
著者Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z.
登録日2014-01-07
公開日2014-08-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway.
Acta Crystallogr.,Sect.D, 70, 2014
8ITU
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BU of 8itu by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 IgG.
分子名称: 1H1 heavy chain, 1H1 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2023-03-23
公開日2023-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
5D8W
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BU of 5d8w by Molmil
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
5VFC
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BU of 5vfc by Molmil
WDR5 bound to inhibitor MM-589
分子名称: 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
著者Stuckey, J.A.
登録日2017-04-07
公開日2017-06-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
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
8E1M
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BU of 8e1m by Molmil
Cryo-EM structure of the endogenous core TIM23 complex from S. cerevisiae
分子名称: Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, CARDIOLIPIN, ...
著者Sim, S.I, Park, E.
登録日2022-08-10
公開日2023-06-21
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of mitochondrial protein import by the TIM23 complex.
Nature, 621, 2023
4OBX
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BU of 4obx by Molmil
Crystal structure of yeast Coq5 in the apo form
分子名称: 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z.
登録日2014-01-07
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway.
Acta Crystallogr.,Sect.D, 70, 2014
5U5Q
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BU of 5u5q by Molmil
12 Subunit RNA Polymerase II at Room Temperature collected using SFX
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Bushnell, D.A, Oberthur, D, Mariani, V, Yefanov, O, Tolstikova, A, Barty, A.
登録日2016-12-07
公開日2017-03-29
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Double-flow focused liquid injector for efficient serial femtosecond crystallography.
Sci Rep, 7, 2017
5TRX
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BU of 5trx by Molmil
Room temperature structure of an extradiol ring-cleaving dioxygenase from B.fuscum determined using serial femtosecond crystallography
分子名称: CALCIUM ION, CHLORIDE ION, FE (II) ION, ...
著者Kovaleva, E.G, Oberthuer, D, Tolstikova, A, Mariani, V.
登録日2016-10-27
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Double-flow focused liquid injector for efficient serial femtosecond crystallography
Sci. Rep., 7, 2017
4RJ6
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BU of 4rj6 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 4
分子名称: Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2014-10-08
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ4
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BU of 4rj4 by Molmil
EGFR kinase (T790M/L858R) with inhibitor compound 6
分子名称: Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
著者Eigenbrot, C, Yu, C.
登録日2014-10-08
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ5
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EGFR kinase (T790M/L858R) with inhibitor compound 5
分子名称: Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
著者Eigenbrot, C, Yu, C.
登録日2014-10-08
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ3
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CDK2 with EGFR inhibitor compound 8
分子名称: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine, ACETATE ION, Cyclin-dependent kinase 2
著者Eigenbrot, C, Yin, J.
登録日2014-10-08
公開日2014-11-26
最終更新日2015-01-14
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ8
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EGFR kinase (T790M/L858R) with inhibitor compound 8
分子名称: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2014-10-08
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4RJ7
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EGFR kinase (T790M/L858R) with inhibitor compound 1
分子名称: 2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2014-10-08
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
4FJZ
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Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63
分子名称: 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-12
公開日2012-10-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
J.Med.Chem., 55, 2012

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