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PDB: 105 results

4Z21
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BU of 4z21 by Molmil
Crystal structure of ARNO Sec7
Descriptor: 1,2-ETHANEDIOL, Cytohesin-2
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2015-03-28
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Lack of evidence that CYTH2/ARNO functions as an intracellular EGFR activator
To Be Published
6D6U
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BU of 6d6u by Molmil
Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Zhu, S, Noviello, C.M, Teng, J, Walsh Jr, R.M, Kim, J.J, Hibbs, R.E.
Deposit date:2018-04-22
Release date:2018-06-27
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structure of a human synaptic GABAAreceptor.
Nature, 559, 2018
6D6T
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BU of 6d6t by Molmil
Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Zhu, S, Noviello, C.M, Teng, J, Walsh Jr, R.M, Kim, J.J, Hibbs, R.E.
Deposit date:2018-04-22
Release date:2018-06-27
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Structure of a human synaptic GABAAreceptor.
Nature, 559, 2018
6JX4
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BU of 6jx4 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by soaking
Descriptor: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Zhu, S.J, Yan, X.E, Yun, C.H.
Deposit date:2019-04-22
Release date:2020-04-22
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.531 Å)
Cite:Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
8DD2
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BU of 8dd2 by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus Zolpidem
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Zhu, S, Hibbs, R.E.
Deposit date:2022-06-17
Release date:2022-08-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities.
Nat Commun, 13, 2022
8DD3
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BU of 8dd3 by Molmil
Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus DMCM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Zhu, S, Hibbs, R.E.
Deposit date:2022-06-17
Release date:2022-08-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities.
Nat Commun, 13, 2022
5IOU
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BU of 5iou by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the glutamate/glycine-bound conformation
Descriptor: GLUTAMIC ACID, GLYCINE, Ionotropic glutamate receptor subunit NR2B, ...
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5IPU
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BU of 5ipu by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 6
Descriptor: Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (15.4 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5IPT
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BU of 5ipt by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 5
Descriptor: Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (14.1 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5IOV
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BU of 5iov by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the glutamate/glycine/Ro25-6981-bound conformation
Descriptor: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, GLUTAMIC ACID, GLYCINE, ...
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5IPV
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BU of 5ipv by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 1
Descriptor: Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, McHaourab, S.H, Gouaux, E.
Deposit date:2016-03-10
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (9.25 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5IPR
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BU of 5ipr by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 3
Descriptor: Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (14.1 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5IPQ
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BU of 5ipq by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 2
Descriptor: Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (13.5 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
5IPS
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BU of 5ips by Molmil
Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 4
Descriptor: Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a
Authors:Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E.
Deposit date:2016-03-09
Release date:2016-04-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (13.5 Å)
Cite:Mechanism of NMDA Receptor Inhibition and Activation.
Cell, 165, 2016
4R5S
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BU of 4r5s by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3
Descriptor: Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2014-08-22
Release date:2014-11-12
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
2LKB
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BU of 2lkb by Molmil
Evolutionary diversification of Mesobuthus alpha-scorpion toxins affecting sodium channels
Descriptor: Neurotoxin MeuNaTx-5
Authors:Zhu, S, Peigneur, S, Gao, B, Lu, X, Cao, C, Tytgat, J.
Deposit date:2011-10-09
Release date:2011-11-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Evolutionary diversification of Mesobuthus {alpha}-scorpion toxins affecting sodium channels
Mol.Cell Proteomics, 2011
6J2A
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BU of 6j2a by Molmil
The structure of HLA-A*3003/NP44
Descriptor: Beta-2-microglobulin, HLA-A*3003, NP44
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-31
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J1W
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BU of 6j1w by Molmil
The structure of HLA-A*3001/RT313
Descriptor: ALA-ILE-PHE-GLN-SER-SER-MET-THR-LYS, Beta-2-microglobulin, HLA-A*3001
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-29
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J29
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BU of 6j29 by Molmil
The structure of HLA-A*3003/MTB
Descriptor: Beta-2-microglobulin, HLA-A*3003, MTB
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-31
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
6J1V
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BU of 6j1v by Molmil
The structure of HLA-A*3003/RT313
Descriptor: Beta-2-microglobulin, HLA-A*3003, RT313
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-29
Release date:2019-09-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
2L24
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BU of 2l24 by Molmil
Antimicrobial peptide
Descriptor: Hemagglutinin
Authors:Zhu, S, Aumelas, A, Gao, B.
Deposit date:2010-08-10
Release date:2011-06-22
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Convergent evolution-guided design of antimicrobial peptides derived from influenza A virus hemagglutinin.
J.Med.Chem., 54, 2011
5ZTO
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BU of 5zto by Molmil
Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2018-05-04
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003
To Be Published
6JRK
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BU of 6jrk by Molmil
The structure of co-crystals of 8r-B-EGFR WT complex
Descriptor: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2019-04-04
Release date:2020-04-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
6JRJ
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BU of 6jrj by Molmil
The structure of co-crystals of 8r-B-EGFR T790M/C797S complex
Descriptor: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2019-04-04
Release date:2020-04-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.943 Å)
Cite:Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
8HAQ
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BU of 8haq by Molmil
The complex of Src with GW8510
Descriptor: 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide, Isoform 2 of Proto-oncogene tyrosine-protein kinase Src
Authors:Zhu, S.J, Bi, S.Z.
Deposit date:2022-10-26
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The complex of Src with GW8510
To Be Published

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