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7T5G
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BU of 7t5g by Molmil
Structure of rabies virus phosphoprotein C-terminal domain, S210E mutant
Descriptor: Phosphoprotein, SULFATE ION
Authors:Zhan, J, Metcalfe, R.D, Gooley, P.R, Griffin, M.D.W.
Deposit date:2021-12-12
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis of Functional Effects of Phosphorylation of the C-Terminal Domain of the Rabies Virus P Protein.
J.Virol., 96, 2022
2HDC
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BU of 2hdc by Molmil
STRUCTURE OF TRANSCRIPTION FACTOR GENESIS/DNA COMPLEX
Descriptor: DNA (5'-D(P*GP*CP*TP*TP*AP*AP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*TP*TP*AP*AP*GP*C)-3'), PROTEIN (TRANSCRIPTION FACTOR)
Authors:Jin, C, Marsden, I, Chen, X, Liao, X.
Deposit date:1999-05-05
Release date:1999-07-05
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Dynamic DNA contacts observed in the NMR structure of winged helix protein-DNA complex.
J.Mol.Biol., 289, 1999
2HFH
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BU of 2hfh by Molmil
THE NMR STRUCTURES OF A WINGED HELIX PROTEIN: GENESIS, 20 STRUCTURES
Descriptor: GENESIS
Authors:Marsden, I, Jin, C, Liao, X.
Deposit date:1998-01-27
Release date:1998-06-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural changes in the region directly adjacent to the DNA-binding helix highlight a possible mechanism to explain the observed changes in the sequence-specific binding of winged helix proteins.
J.Mol.Biol., 278, 1998
4QP1
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BU of 4qp1 by Molmil
Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
Descriptor: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP9
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BU of 4qp9 by Molmil
Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
7T17
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BU of 7t17 by Molmil
Zika Virus asymmetric unit bound with IgM antibody DH1017 Fab fragment
Descriptor: Core protein, DH1017.IgM FabC constant domain, DH1017.IgM IgH, ...
Authors:Miller, A.S, Kuhn, R.J.
Deposit date:2021-12-01
Release date:2022-11-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (5.26 Å)
Cite:A Zika virus-specific IgM elicited in pregnancy exhibits ultrapotent neutralization.
Cell, 185, 2022
4QP3
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BU of 4qp3 by Molmil
Crystal Structure of ERK2 in complex with (S)-2-((9H-purin-6-yl)amino)-3-phenylpropan-1-ol
Descriptor: (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8PT5
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BU of 8pt5 by Molmil
ERK2 covelently bound to RU187 cyclohexenone based inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Sok, P, Poti, A, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
4QP6
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BU of 4qp6 by Molmil
Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine
Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8PSY
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BU of 8psy by Molmil
ERK2 covelently bound to RU68 cyclohexenone based inhibitor
Descriptor: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
8PSW
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BU of 8psw by Molmil
ERK2 covalently bound to RU67 cyclohexenone based inhibitor
Descriptor: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
8PT1
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BU of 8pt1 by Molmil
ERK2 covelently bound to RU76 cyclohexenone based inhibitor
Descriptor: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
8PT3
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BU of 8pt3 by Molmil
ERK2 covelently bound to RU77 cyclohexenone based inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Sok, P, Poti, A, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
8PST
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BU of 8pst by Molmil
ERK2 covelently bound to RU60 cyclohexenone based inhibitor
Descriptor: AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
3IH7
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BU of 3ih7 by Molmil
Crystal structure of catalytically active human 8-oxoguanine glycosylase distally crosslinked to guanine-containing DNA
Descriptor: 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', 5'-D(AP*TP*CP*TP*GP*GP*AP*CP*CP*TP*GP*CP*A)-3', N-glycosylase/DNA lyase
Authors:Verdine, G.L, Crenshaw, C.M, Oo, K.S, Kutchukian, P.S.
Deposit date:2009-07-29
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Catalytic Checkpoint in Base Excision by the Human 8-Oxoguanine DNA Glycosylase hOGG1
To be Published
8PSR
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BU of 8psr by Molmil
ERK2 covalently bound to SynthRevD-12-opt artificial peptide
Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Sok, P, Poti, A, Gogl, G, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
8PT0
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BU of 8pt0 by Molmil
ERK2 covelently bound to RU75 cyclohexenone based inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Sok, P, Poti, A, Remenyi, A, Gogl, G.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
5SYA
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BU of 5sya by Molmil
Atomic resolution structure of D24N mutant human DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
3WYG
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BU of 3wyg by Molmil
Crystal structure of Xpo1p-PKI-Gsp1p-GTP complex
Descriptor: Exportin-1, GUANOSINE-5'-TRIPHOSPHATE, Gsp1p, ...
Authors:Koyama, M, Shirai, N, Matsuura, Y.
Deposit date:2014-08-26
Release date:2014-11-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into how yrb2p accelerates the assembly of the xpo1p nuclear export complex
Cell Rep, 9, 2014
8GO8
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BU of 8go8 by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C5a anaphylatoxin chemotactic receptor 1, C5aR1
Descriptor: Beta-arrestin-1, C5a anaphylatoxin chemotactic receptor 1, Fab30 heavy chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2022-08-24
Release date:2023-05-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
8GP3
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BU of 8gp3 by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4
Descriptor: Beta-arrestin-1, C-X-C chemokine receptor type 4, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2022-08-25
Release date:2023-05-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
4QTE
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BU of 4qte by Molmil
Structure of ERK2 in complex with VTX-11e, 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2-HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE
Descriptor: 1,2-ETHANEDIOL, 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, ...
Authors:Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
5NPH
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BU of 5nph by Molmil
Structure of the Hepatitis C virus strain J4 glycoprotein E2 antigenic region 532-540 bound to the Fab fragment of the non-neutralizing antibody DAO5
Descriptor: Genome polyprotein, Heavy chain of Fab fragment derived from non-neutralizing antibody DAO5, Light chain of Fab fragment derived from non-neutralizing antibody DAO5
Authors:Vasiliauskaite, I, Rey, F.A, Krey, T.
Deposit date:2017-04-16
Release date:2017-05-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Flexibility in the Immunoglobulin-Like Domain of the Hepatitis C Virus Glycoprotein E2.
MBio, 8, 2017
5I5Z
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BU of 5i5z by Molmil
CDK8-CYCC IN COMPLEX WITH 8-(1-Methyl-2,2-dioxo-2,3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-[1,6]naphthyridine-2-carboxylic acid methylamide
Descriptor: Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID, ...
Authors:Musil, D, Blagg, J, Mallinger, A.
Deposit date:2016-02-15
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19.
Acs Med.Chem.Lett., 7, 2016
2IC3
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BU of 2ic3 by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with Nonnucleoside Inhibitor HBY 097
Descriptor: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H (p51 RT), ...
Authors:Das, K, Arnold, E.
Deposit date:2006-09-12
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007

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数据于2024-09-04公开中

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