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3FCY
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BU of 3fcy by Molmil
Crystal Structure of Acetyl Xylan Esterase 1 from Thermoanaerobacterium sp. JW/SL YS485
分子名称: CALCIUM ION, Xylan esterase 1
著者Krastanova, I, Cassetta, A, Lamba, D.
登録日2008-11-24
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure Analysis of Acetyl Xylan Esterase 1 from Thermoanaerobacterium sp. JW/SL YS485
To be Published
5ABS
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BU of 5abs by Molmil
CRYSTAL STRUCTURE OF THE C-TERMINAL COILED-COIL DOMAIN OF CIN85 IN SPACE GROUP P321
分子名称: SH3 DOMAIN-CONTAINING KINASE-BINDING PROTEIN 1, ZINC ION
著者Wong, L, Habeck, M, Griesinger, C, Becker, S.
登録日2015-08-07
公開日2016-07-13
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献The Adaptor Protein Cin85 Assembles Intracellular Signaling Clusters for B Cell Activation.
Sci.Signal., 9, 2016
7PL9
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BU of 7pl9 by Molmil
Cryo-EM structure of Bestrhodopsin (rhodopsin-rhodopsin-bestrophin) complex
分子名称: RETINAL, Rhodopsin
著者Matzov, D, Kaczmarczyk, I, Shalev-Benami, M.
登録日2021-08-29
公開日2022-07-06
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Rhodopsin-bestrophin fusion proteins from unicellular algae form gigantic pentameric ion channels.
Nat.Struct.Mol.Biol., 29, 2022
6NI4
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BU of 6ni4 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 277 K G150T mutant
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI7
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BU of 6ni7 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 277 K
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2019-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NPQ
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BU of 6npq by Molmil
Pseudomonas fluorescens isocyanide hydratase at 298 K XFEL data
分子名称: Isonitrile hydratase InhA
著者Dasgupta, M, van den Bedem, H, Wilson, M.A.
登録日2019-01-18
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5HI8
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BU of 5hi8 by Molmil
Structure of T-type Phycobiliprotein Lyase CpeT from Prochlorococcus phage P-HM1
分子名称: ACETATE ION, Antenna protein, MAGNESIUM ION
著者Gasper, R, Schwach, J, Frankenberg-Dinkel, N, Hofmann, E.
登録日2016-01-11
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Distinct Features of Cyanophage-encoded T-type Phycobiliprotein Lyase Phi CpeT: THE ROLE OF AUXILIARY METABOLIC GENES.
J. Biol. Chem., 292, 2017
6NIA
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BU of 6nia by Molmil
Pseudomonas fluorescens isocyanide hydratase at 100 K helical disorder model
分子名称: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2019-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI9
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BU of 6ni9 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 274 K qFit multiconformer model
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2019-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI5
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BU of 6ni5 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 274 K G150A mutant
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2019-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6NI6
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BU of 6ni6 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 274 K
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2019-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5HG7
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BU of 5hg7 by Molmil
EGFR (L858R, T790M, V948R) in complex with 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988)
分子名称: 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}propan-1-one, Epidermal growth factor receptor, SULFATE ION
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-01-27
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HG5
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BU of 5hg5 by Molmil
EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HG9
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BU of 5hg9 by Molmil
EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one
分子名称: 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor, GLYCEROL, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2016-03-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HG8
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BU of 5hg8 by Molmil
EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide
分子名称: Epidermal growth factor receptor, GLYCEROL, N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide, ...
著者Gajiwala, K.S.
登録日2016-01-08
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
3DKS
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BU of 3dks by Molmil
DsbA substrate complex
分子名称: Thiol:disulfide interchange protein dsbA, siga peptide
著者Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J.
登録日2008-06-25
公開日2009-05-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes
J.Biol.Chem., 284, 2009
2A4A
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BU of 2a4a by Molmil
Deoxyribose-phosphate aldolase from P. yoelii
分子名称: deoxyribose-phosphate aldolase
著者Walker, J.R, Amani, M, Lew, J, Wiegelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Hui, R, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2005-06-28
公開日2005-09-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
7KJS
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BU of 7kjs by Molmil
Crystal structure of CDK2/cyclin E in complex with PF-06873600
分子名称: 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者McTigue, M.A, He, Y, Ferre, R.A.
登録日2020-10-26
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6UND
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BU of 6und by Molmil
Pseudomonas fluorescens isocyanide hydratase thioimidate intermediate at 298 K XFEL data
分子名称: Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine
著者Dasgupta, M, van den Bedem, H, Wilson, M.A.
登録日2019-10-11
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6UNF
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BU of 6unf by Molmil
Pseudomonas fluorescens isocyanide hydratase post-catalysis at 298 K XFEL data
分子名称: Isonitrile hydratase InhA
著者Dasgupta, M, van den Bedem, H, Wilson, M.A.
登録日2019-10-11
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
8V5W
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BU of 8v5w by Molmil
UIC-1 mutant UIC-1-B5T
分子名称: UIC-1-B5T
著者Heinz-Kunert, S.L.
登録日2023-12-01
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
8V61
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BU of 8v61 by Molmil
UIC-1 mutant - UIC-1-L6I
分子名称: UIC-1-L6I
著者Heinz-Kunert, S.L.
登録日2023-12-01
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
8V5X
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BU of 8v5x by Molmil
UIC-1 mutant - UIC-1-L6A
分子名称: ACETONITRILE, UIC-1-L6A
著者Heinz-Kunert, S.L.
登録日2023-12-01
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
8V59
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BU of 8v59 by Molmil
UIC-1 mutant - UIC-1-B5I
分子名称: METHANOL, UIC-1-B5I
著者Heinz-Kunert, S.L.
登録日2023-11-30
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
8V5Z
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BU of 8v5z by Molmil
UIC-1 mutant - UIC-1-L6M
分子名称: ACETONITRILE, UIC-1-L6M
著者Heinz-Kunert, S.L.
登録日2023-12-01
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024

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