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7CHH
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BU of 7chh by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with BD-368-2 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-368-2 Fab heavy chain, ...
Authors:Xiao, J, Zhu, Q, Wang, G.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2020-11-25
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHE
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BU of 7che by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab and BD-368-2 Fab
Descriptor: BD-236 Fab heavy chain, BD-236 Fab light chain, BD-368-2 Fab heavy chain, ...
Authors:Xiao, J, Zhu, Q.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.416 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CH4
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BU of 7ch4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-604 Fab
Descriptor: BD-604 Fab H, BD-604 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHB
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BU of 7chb by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-236 Fab heavy chain, BD-236 Fab light chain, ...
Authors:Xiao, J, Zhu, Q.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHC
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BU of 7chc by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab and BD-368-2 Fab
Descriptor: BD-368-2 Fab H, BD-368-2 Fab L, BD-629 Fab H, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
8HJ1
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BU of 8hj1 by Molmil
GPR21(wt) and Gs complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Chen, B, Lin, X, Xu, F.
Deposit date:2022-11-22
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
7CH5
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BU of 7ch5 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab
Descriptor: BD-629 Fab H, BD-629 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
4FVQ
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BU of 4fvq by Molmil
Crystal structure of the Jak2 pseudokinase domain (Mg-ATP-bound form)
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bandaranayake, R.M, Hubbard, S.R.
Deposit date:2012-06-29
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F.
Nat.Struct.Mol.Biol., 19, 2012
2YU2
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BU of 2yu2 by Molmil
Crystal structure of hJHDM1A without a-ketoglutarate
Descriptor: FE (II) ION, JmjC domain-containing histone demethylation protein 1A
Authors:Han, Z.
Deposit date:2007-04-05
Release date:2007-04-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for histone demethylation by JHDM1
To be Published
4FVP
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BU of 4fvp by Molmil
Crystal structure of the Jak2 pseudokinase domain (apo form)
Descriptor: GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Bandaranayake, R.M, Hubbard, S.R.
Deposit date:2012-06-29
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F.
Nat.Struct.Mol.Biol., 19, 2012
2YU1
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BU of 2yu1 by Molmil
Crystal structure of hJHDM1A complexed with a-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1A
Authors:Han, Z.
Deposit date:2007-04-05
Release date:2007-04-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for histone demethylation by JHDM1
To be Published
7DFE
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BU of 7dfe by Molmil
NMR structure of TuSp2-RP
Descriptor: B6 protein
Authors:Lin, Z, Fan, T, Fan, J.
Deposit date:2020-11-07
Release date:2021-11-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H, 15N and 13C resonance assignments of a repetitive domain of tubuliform spidroin 2
Biomol.Nmr Assign., 15, 2021
8DJD
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BU of 8djd by Molmil
CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE
Descriptor: 2-[(cyclopropanecarbonyl)amino]-N-(5-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Muckelbauer, J.K.
Deposit date:2022-06-30
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Structure-activity relationship (SAR) studies on substituted N-(pyridin-3-yl)-2-amino-isonicotinamides as highly potent and selective glycogen synthase kinase-3 (GSK-3) inhibitors.
Bioorg.Med.Chem.Lett., 81, 2023
8S8C
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BU of 8s8c by Molmil
Structure of Kras in complex with inhibitor MK-1084
Descriptor: (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Day, P.J, Cleasby, A.
Deposit date:2024-03-06
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor.
J.Med.Chem., 2024
7BPK
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BU of 7bpk by Molmil
Zika virus envelope protein mutant bound to mAb
Descriptor: Envelope protein, IG c307_light_IGLV1-51_IGLJ2, Z3L1 Heavy chain
Authors:Dai, L, Qi, J, Gao, G.F.
Deposit date:2020-03-23
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch.
Nat.Immunol., 22, 2021
7BQ5
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BU of 7bq5 by Molmil
ZIKV sE bound to mAb Z6
Descriptor: Z6 Light Chain, Z6 heavy chain, envelope protein
Authors:Dai, L, Qi, J, Gao, G.F.
Deposit date:2020-03-24
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Protective Zika vaccines engineered to eliminate enhancement of dengue infection via immunodominance switch.
Nat.Immunol., 22, 2021
3U78
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BU of 3u78 by Molmil
E67-2 selectively inhibits KIAA1718, a human histone H3 lysine 9 Jumonji demethylase
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, ...
Authors:Upadhyay, A.K, Cheng, X.
Deposit date:2011-10-13
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.689 Å)
Cite:An Analog of BIX-01294 Selectively Inhibits a Family of Histone H3 Lysine 9 Jumonji Demethylases.
J.Mol.Biol., 416, 2012
4JGV
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BU of 4jgv by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
Descriptor: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
Deposit date:2013-03-04
Release date:2013-12-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
6XJX
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BU of 6xjx by Molmil
MCU holocomplex in Low-calcium blocking state
Descriptor: Calcium uniporter protein, mitochondrial, Calcium uptake protein 1, ...
Authors:Wang, Y, Jiang, Y.
Deposit date:2020-06-24
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural insights into the Ca 2+ -dependent gating of the human mitochondrial calcium uniporter.
Elife, 9, 2020
8SGT
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BU of 8sgt by Molmil
Cryo-EM structure of human NCX1 in Ca2+ bound, activated state (group II in the presence of 0.5 mM Ca2+)
Descriptor: CALCIUM ION, Fab heavy chain, Fab light chain, ...
Authors:Xue, J, Jiang, Y.
Deposit date:2023-04-13
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural mechanisms of the human cardiac sodium-calcium exchanger NCX1.
Nat Commun, 14, 2023
8SGJ
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BU of 8sgj by Molmil
Cryo-EM structure of human NCX1 in apo inactivated state
Descriptor: CALCIUM ION, Fab heavy chain, Fab light chain, ...
Authors:Xue, J, Jiang, Y.
Deposit date:2023-04-12
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural mechanisms of the human cardiac sodium-calcium exchanger NCX1.
Nat Commun, 14, 2023
6MAB
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BU of 6mab by Molmil
1.7A resolution structure of RsbU from Chlamydia trachomatis (periplasmic domain)
Descriptor: ISOPROPYL ALCOHOL, Sigma regulatory family protein-PP2C phosphatase
Authors:Dmitriev, A, Lovell, S, Battaile, K.P, Soules, K, Hefty, P.S.
Deposit date:2018-08-27
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and ligand binding analyses of the periplasmic sensor domain of RsbU in Chlamydia trachomatis support a role in TCA cycle regulation.
Mol.Microbiol., 113, 2020
8SGI
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BU of 8sgi by Molmil
Cryo-EM structure of human NCX1 in complex with SEA0400
Descriptor: 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline, CALCIUM ION, Fab heavy chain, ...
Authors:Xue, J, Jiang, Y.
Deposit date:2023-04-12
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanisms of human cardiac sodium calcium exchanger NCX1
To Be Published
1OQF
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BU of 1oqf by Molmil
Crystal structure of the 2-methylisocitrate lyase
Descriptor: 2-methylisocitrate lyase
Authors:Liu, S, Lu, Z, Dunaway-Mariano, D, Herzberg, O, Structure 2 Function Project (S2F)
Deposit date:2003-03-08
Release date:2004-04-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of 2-methylisocitrate lyase in complex with product and with isocitrate inhibitor provide insight into lyase substrate specificity, catalysis and evolution.
Biochemistry, 44, 2005
5YIM
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BU of 5yim by Molmil
Structure of a Legionella effector
Descriptor: SdeA
Authors:Feng, Y, Dong, Y, Wang, W.
Deposit date:2017-10-05
Release date:2018-05-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.394 Å)
Cite:Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018

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