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8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
分子名称: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,Probable G-protein coupled receptor 34,YL-365
著者Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
登録日2023-04-06
公開日2024-03-20
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OL9
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BU of 8ol9 by Molmil
Anti-FIXa Fab in complex with human des-(Gla-EGF1) FIXa
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Coagulation factor IX heavy chain, ...
著者Johansson, E, Svensson, L.A.
登録日2023-03-30
公開日2023-07-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Computational design of N-linked glycans for high throughput epitope profiling.
Protein Sci., 32, 2023
7VNU
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BU of 7vnu by Molmil
Crystal structure of the N-terminal domain of SARS-CoV-2 nucleocapsid protein
分子名称: ACETATE ION, Nucleoprotein
著者Zhou, R.J, Ni, X.C, Lei, J.
登録日2021-10-12
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural insights into ribonucleoprotein dissociation by nucleocapsid protein interacting with non-structural protein 3 in SARS-CoV-2.
Commun Biol, 6, 2023
7WZO
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BU of 7wzo by Molmil
Crystal structure of the SARS-CoV-2 nucleocapsid protein N-terminal domain in complex with Ubl1
分子名称: Nucleoprotein, nsp3
著者Ni, X.C, Zhou, R.J, Lei, J.
登録日2022-02-18
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural insights into ribonucleoprotein dissociation by nucleocapsid protein interacting with non-structural protein 3 in SARS-CoV-2.
Commun Biol, 6, 2023
6KI0
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BU of 6ki0 by Molmil
Crystal Structure of Human ASC-CARD
分子名称: Maltose/maltodextrin-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Xu, Z.H, Jin, T.C.
登録日2019-07-16
公開日2020-07-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homotypic CARD-CARD interaction is critical for the activation of NLRP1 inflammasome.
Cell Death Dis, 12, 2021
9CZT
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BU of 9czt by Molmil
HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 6
分子名称: 4-(aminomethyl)-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase kinase 1
著者Johnson, E, Mc Tigue, M.
登録日2024-08-05
公開日2024-12-18
最終更新日2025-01-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of PF-07265028, A Selective Small Molecule Inhibitor of Hematopoietic Progenitor Kinase 1 (HPK1) for the Treatment of Cancer.
J.Med.Chem., 67, 2024
9CZX
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BU of 9czx by Molmil
HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 21
分子名称: 4-[(1R)-1-aminopropyl]-2-{6-[(4S,5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-yl}-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one, CHLORIDE ION, Mitogen-activated protein kinase kinase kinase kinase 1
著者Johnson, E, Mc Tigue, M.
登録日2024-08-05
公開日2024-12-18
最終更新日2025-01-08
実験手法X-RAY DIFFRACTION (1.464 Å)
主引用文献Discovery of PF-07265028, A Selective Small Molecule Inhibitor of Hematopoietic Progenitor Kinase 1 (HPK1) for the Treatment of Cancer.
J.Med.Chem., 67, 2024
9CZU
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BU of 9czu by Molmil
HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9
分子名称: 6-methoxy-4-[(methylamino)methyl]-2-(6-{4-[(2S)-4,4,4-trifluorobutan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
著者Johnson, E, Mc Tigue, M.
登録日2024-08-05
公開日2024-12-18
最終更新日2025-01-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of PF-07265028, A Selective Small Molecule Inhibitor of Hematopoietic Progenitor Kinase 1 (HPK1) for the Treatment of Cancer.
J.Med.Chem., 67, 2024
9CZW
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BU of 9czw by Molmil
HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 13
分子名称: 6-(dimethylamino)-4-[(methylamino)methyl]-2-[6-(4-propyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one, Mitogen-activated protein kinase kinase kinase kinase 1
著者Johnson, E, Mc Tigue, M.
登録日2024-08-05
公開日2024-12-18
最終更新日2025-01-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery of PF-07265028, A Selective Small Molecule Inhibitor of Hematopoietic Progenitor Kinase 1 (HPK1) for the Treatment of Cancer.
J.Med.Chem., 67, 2024
9D00
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BU of 9d00 by Molmil
HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 53
分子名称: 4-[(1R)-1-aminopropyl]-6-methoxy-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase kinase 1
著者Johnson, E, McTigue, M, Cronin, C.N.
登録日2024-08-05
公開日2024-12-18
最終更新日2025-01-08
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Discovery of PF-07265028, A Selective Small Molecule Inhibitor of Hematopoietic Progenitor Kinase 1 (HPK1) for the Treatment of Cancer.
J.Med.Chem., 67, 2024
7WM0
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BU of 7wm0 by Molmil
Cryo-EM structure of the Omicron RBD in complex with 35B5 Fab( local refinement of the RBD and 35B5 Fab)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X, Zhu, Y.
登録日2022-01-14
公開日2022-08-17
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope
Cell Host Microbe, 30, 2022
7WLY
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BU of 7wly by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down- and 2 up RBDs)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, ...
著者Wang, X, Zhu, Y.
登録日2022-01-14
公開日2022-05-25
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
7WLZ
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BU of 7wlz by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down-, 1 up- and 1 invisible RBDs)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
著者Wang, X, Zhu, Y.
登録日2022-01-14
公開日2022-05-25
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
7XH8
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BU of 7xh8 by Molmil
The structure of ZCB11 Fab against SARS-CoV-2 Omicron Spike
分子名称: Spike glycoprotein, The heavy chain of ZCB11 antibody, The light chain of ZCB11 antibody
著者Hang, L, Dang, S.
登録日2022-04-07
公開日2022-06-29
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献A broadly neutralizing antibody protects Syrian hamsters against SARS-CoV-2 Omicron challenge.
Nat Commun, 13, 2022
5GPP
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BU of 5gpp by Molmil
Crystal structure of zebrafish ASC PYD domain
分子名称: ACETATE ION, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, ...
著者Jin, T, Li, Y.
登録日2016-08-04
公開日2017-08-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
5GPQ
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BU of 5gpq by Molmil
Crystal Structure of zebrafish ASC CARD Domain
分子名称: CITRIC ACID, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Jin, T, Li, Y.
登録日2016-08-04
公開日2017-08-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
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)pyrr olidin-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2024-11-20
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2024-11-06
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
4R1S
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BU of 4r1s by Molmil
Crystal structure of Petunia hydrida cinnamoyl-CoA reductase
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, cinnamoyl CoA reductase
著者Noel, J.P, Louie, G.V, Bowman, M.E, Bomati, E.K.
登録日2014-08-07
公開日2014-10-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis.
Plant Cell, 26, 2014
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2024-11-20
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2024-10-30
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
4ZDR
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BU of 4zdr by Molmil
Crystal structure of 14-3-3[zeta]-LKB1 fusion protein
分子名称: 14-3-3 protein zeta/delta,GGSGGS linker,Serine/threonine-protein kinase STK11, GLYCEROL, PROPANE, ...
著者Ding, S, Shi, Z.B.
登録日2015-04-18
公開日2015-09-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Structure of the 14-3-3 zeta-LKB1 fusion protein provides insight into a novel ligand-binding mode of 14-3-3.
Acta Crystallogr.,Sect.F, 71, 2015
4R1T
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BU of 4r1t by Molmil
Crystal structure of Petunia hydrida cinnamoyl-CoA reductase
分子名称: cinnamoyl CoA reductase, molecular iodine
著者Noel, J.P, Louie, G.V, Bowman, M.E, Bomati, E.K.
登録日2014-08-07
公開日2014-10-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis.
Plant Cell, 26, 2014
8IEM
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BU of 8iem by Molmil
Cryo-EM structure of ATP13A2 in the E2P state
分子名称: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
著者Liu, Z.M, Mu, J.Q, Xue, C.Y.
登録日2023-02-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IEN
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BU of 8ien by Molmil
Cryo-EM structure of ATP13A2 in the E2-Pi state
分子名称: MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ...
著者Liu, Z.M, Mu, J.Q, Xue, C.Y.
登録日2023-02-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023

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