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8XK6
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BU of 8xk6 by Molmil
S2A5 Fab bound to SFTSV glycoprotein Gn
Descriptor: Envelopment polyprotein, mAb S2A5 Fab heavy chain, mAb S2A5 Fab light chain
Authors:Deng, Z.
Deposit date:2023-12-22
Release date:2024-07-10
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A broadly protective antibody targeting glycoprotein Gn inhibits severe fever with thrombocytopenia syndrome virus infection.
Nat Commun, 15, 2024
3U6J
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BU of 3u6j by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor
Descriptor: N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A, Rose, P, Gu, Y, Zhao, H.
Deposit date:2011-10-12
Release date:2012-02-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
4L06
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BU of 4l06 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4L03
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BU of 4l03 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
2GMX
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BU of 2gmx by Molmil
Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity
Descriptor: C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-04-07
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity.
J.Med.Chem., 49, 2006
4L04
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BU of 4l04 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
4KZO
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BU of 4kzo by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
7U6R
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BU of 7u6r by Molmil
Cryo-EM structure of PDF-2180 Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PDF-2180 Spike glycoprotein
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-03-05
Release date:2022-11-30
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
7WPO
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BU of 7wpo by Molmil
Structure of NeoCOV RBD binding to Bat37 ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
Deposit date:2022-01-24
Release date:2022-11-30
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
7WPZ
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BU of 7wpz by Molmil
Structure of PDF-2180-COV RBD binding to Bat37 ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Cao, L, Wang, X, Tortorici, M.A, Veesler, D.
Deposit date:2022-01-24
Release date:2022-11-30
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
3B8Q
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BU of 3b8q by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor
Descriptor: N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A.M, Gu, Y, Zhao, H.
Deposit date:2007-11-01
Release date:2008-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Naphthamides as Novel and Potent Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors: Design, Synthesis and Evaluation
J.Med.Chem., 51, 2008
3BE2
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BU of 3be2 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor
Descriptor: N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H.
Deposit date:2007-11-16
Release date:2008-04-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation.
J.Med.Chem., 51, 2008
3B8R
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BU of 3b8r by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor
Descriptor: 1,2-ETHANEDIOL, N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A.M, Gu, Y, Zhao, H.
Deposit date:2007-11-01
Release date:2008-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Evaluation of a Series of Naphthamides as Potent, Orally Active Vascular Endothelial Growth Factor Receptor-2 Tyrosine Kinase Inhibitors
J.Med.Chem., 51, 2008
5YIS
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BU of 5yis by Molmil
Crystal Structure of AnkB LIR/LC3B complex
Descriptor: Ankyrin-2, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B, ...
Authors:Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
Deposit date:2017-10-06
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIQ
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BU of 5yiq by Molmil
Crystal structure of AnkG LIR/LC3B complex
Descriptor: Ankyrin-3, Microtubule-associated proteins 1A/1B light chain 3B, ZINC ION
Authors:Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
Deposit date:2017-10-06
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIR
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BU of 5yir by Molmil
Crystal Structure of AnkB LIR/GABARAP complex
Descriptor: Ankyrin-2, Gamma-aminobutyric acid receptor-associated protein, NICKEL (II) ION
Authors:Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
Deposit date:2017-10-06
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIP
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BU of 5yip by Molmil
Crystal Structure of AnkG LIR/GABARAPL1 complex
Descriptor: Ankyrin-3, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1
Authors:Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
Deposit date:2017-10-06
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
8YHE
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BU of 8yhe by Molmil
Cryo-EM structure of CTR-bound type VII CRISPR-Cas complex at post-state II
Descriptor: RNA (29-MER), RNA (46-MER), ZINC ION, ...
Authors:Zhang, H, Deng, Z, Li, X.
Deposit date:2024-02-28
Release date:2024-08-21
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
8YHD
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BU of 8yhd by Molmil
Cryo-EM structure of CTR-bound type VII CRISPR-Cas complex at post-state I
Descriptor: RNA (35-MER), RNA (53-MER), ZINC ION, ...
Authors:Zhang, H, Deng, Z, Li, X.
Deposit date:2024-02-28
Release date:2024-08-21
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural basis for the activity of the type VII CRISPR-Cas system.
Nature, 633, 2024
8I3U
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BU of 8i3u by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ...
Authors:Li, Z, Yu, F, Cao, S.
Deposit date:2023-01-18
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
8ID1
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BU of 8id1 by Molmil
Crystal structure of N-Methyl-cis-4-hydroxy-L-proline dehydratase in Intestinibacter bartlettii
Descriptor: (2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid, Formate C-acetyltransferase
Authors:Jiang, L, Zhang, Y.
Deposit date:2023-02-11
Release date:2024-03-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.115 Å)
Cite:Glycyl Radical Enzymes Catalyzing the Dehydration of Two Isomers of N-Methyl-4-hydroxyproline
Acs Catalysis, 14, 2024
8IOF
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BU of 8iof by Molmil
Crystal structure of N-methyl-Cis-4-hydroxy-D-proline dehydratase in Clostridium sp. FS41
Descriptor: (2R,4R)-1-methyl-4-hydroxyl-pyrrolidine-2-carboxylic acid, Benzylsuccinate synthase alpha subunit
Authors:Jiang, L, Zhang, Y.
Deposit date:2023-03-11
Release date:2024-03-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Glycyl Radical Enzymes Catalyzing the Dehydration of Two Isomers of N-Methyl-4-hydroxyproline
Acs Catalysis, 14, 2024
6LON
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BU of 6lon by Molmil
Crystal structure of HPSG
Descriptor: (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, GLYCEROL, PFL2/glycerol dehydratase family glycyl radical enzyme, ...
Authors:Liu, J, Zhang, Y, Yuchi, Z.
Deposit date:2020-01-06
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Two radical-dependent mechanisms for anaerobic degradation of the globally abundant organosulfur compound dihydroxypropanesulfonate.
Proc.Natl.Acad.Sci.USA, 117, 2020
5XS5
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BU of 5xs5 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus procapsid particle
Descriptor: Genome polyprotein
Authors:Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W.
Deposit date:2017-06-12
Release date:2017-09-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
5XS4
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BU of 5xs4 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus A-particle
Descriptor: Genome polyprotein
Authors:Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T.
Deposit date:2017-06-12
Release date:2017-09-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017

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