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7YQX
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BU of 7yqx by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, ...
Authors:Wang, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
3I81
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BU of 3i81 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]
Descriptor: 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor
Authors:Sack, J.S.
Deposit date:2009-07-09
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
J.Med.Chem., 52, 2009
7EPC
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BU of 7epc by Molmil
Cryo-EM structure of inactive mGlu7 homodimer
Descriptor: Isoform 3 of Metabotropic glutamate receptor 7
Authors:Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
Deposit date:2021-04-26
Release date:2021-06-23
Last modified:2021-07-07
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPE
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BU of 7epe by Molmil
Crystal structure of mGlu2 bound to NAM563
Descriptor: 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide, FLAVIN MONONUCLEOTIDE, Metabotropic glutamate receptor 2
Authors:Du, J, Wang, D, Lin, S, Han, S, Wu, B, Zhao, Q.
Deposit date:2021-04-26
Release date:2021-06-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPA
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BU of 7epa by Molmil
Cryo-EM structure of inactive mGlu2 homodimer
Descriptor: Metabotropic glutamate receptor 2
Authors:Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
Deposit date:2021-04-26
Release date:2021-06-23
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPF
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BU of 7epf by Molmil
Crystal structure of mGlu2 bound to NAM597
Descriptor: (8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide, FLAVIN MONONUCLEOTIDE, Metabotropic glutamate receptor 2
Authors:Du, J, Wang, D, Lin, S, Han, S, Wu, B, Zhao, Q.
Deposit date:2021-04-26
Release date:2021-06-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPB
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BU of 7epb by Molmil
Cryo-EM structure of LY354740-bound mGlu2 homodimer
Descriptor: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, Anti-RON nanobody, Metabotropic glutamate receptor 2
Authors:Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
Deposit date:2021-04-26
Release date:2021-06-23
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPD
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BU of 7epd by Molmil
Cryo-EM structure of inactive mGlu2-7 heterodimer
Descriptor: Isoform 3 of Metabotropic glutamate receptor 7, Metabotropic glutamate receptor 2,Peptidylprolyl isomerase
Authors:Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
Deposit date:2021-04-26
Release date:2021-06-23
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
4J1X
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BU of 4j1x by Molmil
Crystal Structure of Fe(II)-HppE with alternative substrate (S)-1-HPP
Descriptor: Epoxidase, FE (II) ION, GLYCEROL, ...
Authors:Drennan, C.L, Dey, M.
Deposit date:2013-02-03
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanistic studies of an unprecedented enzyme-catalysed 1,2-phosphono-migration reaction.
Nature, 496, 2013
4J1W
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BU of 4j1w by Molmil
Crystal Structure of Fe(II)-HppE with alternative substrate (R)-1-HPP
Descriptor: Epoxidase, FE (II) ION, GLYCEROL, ...
Authors:Drennan, C.L, Dey, M.
Deposit date:2013-02-03
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Mechanistic studies of an unprecedented enzyme-catalysed 1,2-phosphono-migration reaction.
Nature, 496, 2013
8H92
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BU of 8h92 by Molmil
Ziziphus jujuba adenylyl cyclase
Descriptor: MAGNESIUM ION, SULFATE ION, triphosphate tunel metalloenzyme 3-like
Authors:Liu, Z.G, Wang, L.L, Yuan, Y, Liu, M.J.
Deposit date:2022-10-24
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A super plant adenylyl cyclase-ZjAC
To Be Published
6O6M
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BU of 6o6m by Molmil
The Structure of EgtB (Cabther)
Descriptor: EgtB (Cabther), FE (III) ION, GLYCEROL
Authors:Irani, S, Zhang, Y.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
4YDV
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BU of 4ydv by Molmil
STRUCTURE OF THE ANTIBODY 7B2 THAT CAPTURES HIV-1 VIRIONS
Descriptor: HIV ANTIBODY 7B2 HEAVY CHAIN,IgG H chain, HIV ANTIBODY 7B2 LIGHT CHAIN,Ig kappa chain C region, HIV GP41 PEPTIDE GP41(596-606)
Authors:Nicely, N.I, Pemble IV, C.W.
Deposit date:2015-02-23
Release date:2015-08-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human Non-neutralizing HIV-1 Envelope Monoclonal Antibodies Limit the Number of Founder Viruses during SHIV Mucosal Infection in Rhesus Macaques.
Plos Pathog., 11, 2015
6L8Z
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BU of 6l8z by Molmil
Crystal structure of ugt transferase mutant in complex with UPG
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2019-11-07
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1
Acs Catalysis, 2020
6L8W
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BU of 6l8w by Molmil
Crystal structure of ugt transferase mutant2
Descriptor: Glycosyltransferase
Authors:Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2019-11-07
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Efficient O-Glycosylation of Triterpenes Enabled by Protein Engineering of Plant Glycosyltransferase UGT74AC1
Acs Catalysis, 2020
6M1V
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BU of 6m1v by Molmil
Crystal structure of post fusion core of 2019-nCoV S2 subunit
Descriptor: Spike protein S2,Spike protein S2
Authors:Sun, H, Song, H, Wang, Q.
Deposit date:2020-02-26
Release date:2020-06-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of HCoV-19 fusion core and an effective inhibition peptide against virus entry.
Emerg Microbes Infect, 9, 2020
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
Descriptor: 3372H, 3372L, Spike protein S1
Authors:Liu, P.L.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7W07
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BU of 7w07 by Molmil
Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in complex with itaconate, Space group C121.
Descriptor: 2-methylidenebutanedioic acid, SULFATE ION, Transcriptional regulator, ...
Authors:Sun, P.K, Wang, B, Li, X.J.
Deposit date:2021-11-17
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages.
Nat Commun, 13, 2022
7W08
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BU of 7w08 by Molmil
Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in APO form, Space group P1.
Descriptor: Transcriptional regulator, LysR family
Authors:Sun, P.K, Wang, B, Li, X.J.
Deposit date:2021-11-17
Release date:2022-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages.
Nat Commun, 13, 2022
7W06
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BU of 7w06 by Molmil
Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in complex with itaconate (SeMet labeled), Space group C121.
Descriptor: 2-methylidenebutanedioic acid, CHLORIDE ION, SULFATE ION, ...
Authors:Sun, P.K, Wang, B, Wang, Z.X, Qi, S, Li, X.J.
Deposit date:2021-11-17
Release date:2022-10-26
Last modified:2022-11-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages.
Nat Commun, 13, 2022
6XLP
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BU of 6xlp by Molmil
Structure of the essential inner membrane lipopolysaccharide-PbgA complex
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose-(6-1)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)]1,5-anhydro-2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-D-glucitol, ...
Authors:Payandeh, J, Clairefeuille, T.
Deposit date:2020-06-29
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the essential inner membrane lipopolysaccharide-PbgA complex.
Nature, 584, 2020
5Z0Q
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BU of 5z0q by Molmil
Crystal Structure of OvoB
Descriptor: Aminotransferase, class I and II, PYRIDOXAL-5'-PHOSPHATE
Authors:Cai, Y.J, Huang, P, Wu, L, Zhou, J.H, Liu, P.H.
Deposit date:2017-12-20
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:In Vitro Reconstitution of the Remaining Steps in Ovothiol A Biosynthesis: C-S Lyase and Methyltransferase Reactions.
Org. Lett., 20, 2018
7L26
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BU of 7l26 by Molmil
HPK1 IN COMPLEX WITH COMPOUND 38
Descriptor: 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Lesburg, C.A.
Deposit date:2020-12-16
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of Potent Reverse Indazole Inhibitors for HPK1.
Acs Med.Chem.Lett., 12, 2021
7L24
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BU of 7l24 by Molmil
HPK1 IN COMPLEX WITH COMPOUND 11
Descriptor: 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Lesburg, C.A.
Deposit date:2020-12-16
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Identification of Potent Reverse Indazole Inhibitors for HPK1.
Acs Med.Chem.Lett., 12, 2021
7L25
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BU of 7l25 by Molmil
HPK1 IN COMPLEX WITH COMPOUND 18
Descriptor: 1,2-ETHANEDIOL, 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Lesburg, C.A.
Deposit date:2020-12-16
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Potent Reverse Indazole Inhibitors for HPK1.
Acs Med.Chem.Lett., 12, 2021

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