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6JX0
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BU of 6jx0 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization
Descriptor: CHLORIDE ION, 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:Yun, C.H, Yan, X.E, Zhu, S.J.
Deposit date:2019-04-21
Release date:2020-04-22
Last modified:2020-11-04
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
4RFE
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BU of 4rfe by Molmil
Crystal structure of ADCC-potent ANTI-HIV-1 Rhesus macaque antibody JR4 Fab
Descriptor: CHLORIDE ION, Fab heavy chain of ADCC-potent anti-HIV-1 antibody JR4, Fab light chain of ADCC-potent anti-HIV-1 antibody JR4, ...
Authors:Wu, X, Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2014-09-25
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cocrystal Structures of Antibody N60-i3 and Antibody JR4 in Complex with gp120 Define More Cluster A Epitopes Involved in Effective Antibody-Dependent Effector Function against HIV-1.
J.Virol., 89, 2015
6IEG
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BU of 6ieg by Molmil
Crystal structure of human MTR4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION
Authors:Chen, J.Y, Yun, C.H.
Deposit date:2018-09-14
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
7S1M
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BU of 7s1m by Molmil
Ex4-D-Ala bound to the glucagon-like peptide-1 receptor/g protein complex (conformer 1)
Descriptor: Ex4-D-Ala, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cary, B.P, Gellman, S.H.
Deposit date:2021-09-02
Release date:2022-01-05
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structural and functional diversity among agonist-bound states of the GLP-1 receptor.
Nat.Chem.Biol., 18, 2022
7SBI
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BU of 7sbi by Molmil
Tandem diubiquitin-like domain from chicken 2'-5'-oligoadenylate synthetase-like protein
Descriptor: 2'-5' oligoadenylate synthase
Authors:Freitas, B.T, Pegan, S.D.
Deposit date:2021-09-24
Release date:2022-01-12
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Structure and Immune Regulatory Implications of the Ubiquitin-Like Tandem Domain Within an Avian 2'-5' Oligoadenylate Synthetase-Like Protein
Front Immunol, 12, 2022
7LUB
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BU of 7lub by Molmil
Crystal structure of recombinant human fumarase in complex with D-2-amino-3-phosphono-propionic acid
Descriptor: D-2-AMINO-3-PHOSPHONO-PROPIONIC ACID, Fumarate hydratase, mitochondrial, ...
Authors:Cardoso, I.A, Nonato, M.C.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
Authors:Leonard, P.G, Hicks, K.G, Rutter, J.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
6KEY
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BU of 6key by Molmil
Structural basis for the regulation of inducible nitric oxide synthase (iNOS) by the SPRY domain-containing SOCS box protein 2 (SPSB2)
Descriptor: Nitric oxide synthase, inducible, SPRY domain-containing SOCS box protein 2
Authors:Li, K, Kuang, Z.
Deposit date:2019-07-05
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural basis for the regulation of inducible nitric oxide synthase by the SPRY domain-containing SOCS box protein SPSB2, an E3 ubiquitin ligase.
Nitric Oxide, 113-114, 2021
6M3G
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BU of 6m3g by Molmil
Crystal structure of human HPF1
Descriptor: Histone PARylation factor 1
Authors:Sun, F.H, Yun, C.H.
Deposit date:2020-03-03
Release date:2021-03-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:HPF1 remodels the active site of PARP1 to enable the serine ADP-ribosylation of histones.
Nat Commun, 12, 2021
6M3I
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BU of 6m3i by Molmil
Crystal structure of HPF1/PARP1 complex
Descriptor: BENZAMIDE, Histone PARylation factor 1, Poly [ADP-ribose] polymerase 1
Authors:Sun, F.H, Yun, C.H.
Deposit date:2020-03-03
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:HPF1 remodels the active site of PARP1 to enable the serine ADP-ribosylation of histones.
Nat Commun, 12, 2021
6M3H
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BU of 6m3h by Molmil
Crystal structure of mouse HPF1
Descriptor: Histone PARylation factor 1
Authors:Sun, F.H, Yun, C.H.
Deposit date:2020-03-03
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:HPF1 remodels the active site of PARP1 to enable the serine ADP-ribosylation of histones.
Nat Commun, 12, 2021
6MW5
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BU of 6mw5 by Molmil
UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase with bound UDP and Platinum
Descriptor: 1,2-ETHANEDIOL, PLATINUM (II) ION, UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase, ...
Authors:Kim, H.W, Wood, Z.A, West, C.M.
Deposit date:2018-10-29
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A terminal alpha 3-galactose modification regulates an E3 ubiquitin ligase subunit in Toxoplasma gondii .
J.Biol.Chem., 295, 2020
6MW8
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BU of 6mw8 by Molmil
UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase with bound UDP and Manganese
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ...
Authors:Kim, H.W, Wood, Z.A, West, C.M.
Deposit date:2018-10-29
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:A terminal alpha 3-galactose modification regulates an E3 ubiquitin ligase subunit in Toxoplasma gondii .
J.Biol.Chem., 295, 2020
4QN0
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BU of 4qn0 by Molmil
Crystal structure of the CPS-6 mutant Q130K
Descriptor: Endonuclease G, mitochondrial, MAGNESIUM ION
Authors:Lin, J.L.J, Yuan, H.S.
Deposit date:2014-06-17
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Oxidative Stress Impairs Cell Death by Repressing the Nuclease Activity of Mitochondrial Endonuclease G
Cell Rep, 16, 2016
8E3X
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BU of 8e3x by Molmil
Cryo-EM structure of the PAC1R-PACAP27-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:Piper, S.J, Danev, R, Sexton, P, Wootten, D.
Deposit date:2022-08-17
Release date:2022-11-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
8E3Z
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BU of 8e3z by Molmil
Cryo-EM structure of the VPAC1R-VIP-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:Piper, S.J, Danev, R, Sexton, P, Wootten, D.
Deposit date:2022-08-17
Release date:2022-11-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
8E3Y
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BU of 8e3y by Molmil
Cryo-EM structure of the VPAC1R-PACAP27-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:Piper, S.J, Danev, R, Sexton, P, Wootten, D.
Deposit date:2022-08-17
Release date:2022-11-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Understanding VPAC receptor family peptide binding and selectivity.
Nat Commun, 13, 2022
7V2S
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BU of 7v2s by Molmil
Crystal structure of juvenile hormone acid methyltransferase JHAMT isoform3 from silkworm
Descriptor: Methyltranfer_dom domain-containing protein
Authors:Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y.
Deposit date:2021-08-09
Release date:2022-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori.
Insect Biochem.Mol.Biol., 151, 2022
7VEO
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BU of 7veo by Molmil
Crystal structure of juvenile hormone acid methyltransferase silkworm JHAMT isoform3 complex with S-Adenosyl-L-homocysteine
Descriptor: Methyltranfer_dom domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y.
Deposit date:2021-09-09
Release date:2022-09-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori.
Insect Biochem.Mol.Biol., 151, 2022
7LLL
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BU of 7lll by Molmil
Exendin-4-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in complex with Gs protein
Descriptor: Exendin-4, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wootten, D, Sexton, P.M, Belousoff, M.J, Danev, R, Zhang, X, Khoshouei, M, Venugopal, H.
Deposit date:2021-02-04
Release date:2022-01-12
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Dynamics of GLP-1R peptide agonist engagement are correlated with kinetics of G protein activation.
Nat Commun, 13, 2022
7LLY
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BU of 7lly by Molmil
Oxyntomodulin-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in complex with Gs protein
Descriptor: Glucagon-like peptide 1 receptor, 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, ...
Authors:Wootten, D, Sexton, P.M, Belousoff, M.J, Danev, R, Zhang, X, Khoshouei, M, Venugopal, H.
Deposit date:2021-02-04
Release date:2022-01-12
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Dynamics of GLP-1R peptide agonist engagement are correlated with kinetics of G protein activation.
Nat Commun, 13, 2022
8DF1
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BU of 8df1 by Molmil
Chi3l1 bound by antibody C59
Descriptor: C59 Fab Heavy chain, C59 Fab Light chain, Chitinase-3-like protein 1, ...
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2022-06-21
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A novel humanized Chi3l1 blocking antibody attenuates acetaminophen-induced liver injury in mice.
Antib Ther, 6, 2023
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-07-21
Release date:2017-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
7JX9
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BU of 7jx9 by Molmil
The crystal structure of human ornithine aminotransferase with an intermediate bound during inactivation by (1S,3S)-3-amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic acid.
Descriptor: (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine, Ornithine aminotransferase, ...
Authors:Butrin, A, Beaupre, B, Shen, S, Silverman, R.B, Moran, G, Liu, D.
Deposit date:2020-08-26
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural and Kinetic Analyses Reveal the Dual Inhibition Modes of Ornithine Aminotransferase by (1 S ,3 S )-3-Amino-4-(hexafluoropropan-2-ylidenyl)-cyclopentane-1-carboxylic Acid (BCF 3 ).
Acs Chem.Biol., 16, 2021
5X26
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BU of 5x26 by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with SKLB(3)
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
Authors:Yun, C.H.
Deposit date:2017-01-31
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Structural insights into drug development strategy targeting EGFR T790M/C797S.
Oncotarget, 9, 2018

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数据于2024-07-24公开中

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