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8TSC
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BU of 8tsc by Molmil
Human PI3K p85alpha/p110alpha H1047R bound to compound 3
Descriptor: (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J.
Deposit date:2023-08-11
Release date:2023-11-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.
Cancer Discov, 14, 2024
6UNQ
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BU of 6unq by Molmil
Kinase domain of ALK2-K493A with AMPPNP
Descriptor: Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Agnew, C, Jura, N.
Deposit date:2019-10-13
Release date:2021-07-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6UNR
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BU of 6unr by Molmil
Kinase domain of ALK2-K492A/K493A with AMPPNP
Descriptor: Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Agnew, C, Jura, N.
Deposit date:2019-10-13
Release date:2021-07-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6UNP
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BU of 6unp by Molmil
Crystal structure of the kinase domain of BMPR2-D485G
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ...
Authors:Agnew, C, Jura, N.
Deposit date:2019-10-13
Release date:2021-07-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6UNS
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BU of 6uns by Molmil
Kinase domain of ALK2-K492A/K493A with LDN-193189
Descriptor: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1
Authors:Agnew, C, Jura, N.
Deposit date:2019-10-13
Release date:2021-07-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
4RIW
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BU of 4riw by Molmil
Crystal structure of an EGFR/HER3 kinase domain heterodimer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Littlefield, P, Jura, N.
Deposit date:2014-10-07
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
Sci.Signal., 7, 2014
4RIX
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BU of 4rix by Molmil
Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-Q790R mutation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Littlefield, P, Liu, L, Jura, N.
Deposit date:2014-10-07
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
Sci.Signal., 7, 2014
4RIY
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BU of 4riy by Molmil
Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-E909G mutation
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ...
Authors:Littlefield, P, Liu, L, Jura, N.
Deposit date:2014-10-07
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.981 Å)
Cite:Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
Sci.Signal., 7, 2014
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
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
4HK3
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BU of 4hk3 by Molmil
I2 Fab (unbound) from CH65-CH67 Lineage
Descriptor: I2 heavy chain, I2 light chain
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2012-10-14
Release date:2012-11-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HKX
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BU of 4hkx by Molmil
Influenza hemagglutinin in complex with CH67 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CH67 heavy chain, CH67 light chain, ...
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2012-10-15
Release date:2012-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HK0
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BU of 4hk0 by Molmil
UCA Fab (unbound) from CH65-CH67 Lineage
Descriptor: UCA heavy chain, UCA light chain
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2012-10-14
Release date:2012-11-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HKB
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BU of 4hkb by Molmil
CH67 Fab (unbound) from the CH65-67 Lineage
Descriptor: CH67 heavy chain, CH67 light chain
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2012-10-15
Release date:2012-11-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FVR
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BU of 4fvr by Molmil
Crystal structure of the Jak2 pseudokinase domain mutant V617F (Mg-ATP-bound form)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, 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 Å)
Cite:Crystal structures of the JAK2 pseudokinase domain and the pathogenic mutant V617F.
Nat.Struct.Mol.Biol., 19, 2012
2FD6
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BU of 2fd6 by Molmil
Structure of Human Urokinase Plasminogen Activator in Complex with Urokinase Receptor and an anti-upar antibody at 1.9 A
Descriptor: 1,2-ETHANEDIOL, 2-ETHOXYETHANOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ...
Authors:Huang, M, Huai, Q, Li, Y.
Deposit date:2005-12-13
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of human urokinase plasminogen activator in complex with its receptor
Science, 311, 2006
7KRP
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BU of 7krp by Molmil
Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - BTC (local refinement)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHAPSO, MAGNESIUM ION, ...
Authors:Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
Deposit date:2020-11-20
Release date:2021-04-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KRO
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BU of 7kro by Molmil
Structure of SARS-CoV-2 backtracked complex complex bound to nsp13 helicase - nsp13(2)-BTC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
Authors:Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
Deposit date:2020-11-20
Release date:2021-04-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KRN
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BU of 7krn by Molmil
Structure of SARS-CoV-2 backtracked complex bound to nsp13 helicase - nsp13(1)-BTC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
Authors:Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
Deposit date:2020-11-20
Release date:2021-04-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for backtracking by the SARS-CoV-2 replication-transcription complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
5UN1
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BU of 5un1 by Molmil
Crystal structure of GluN1/GluN2B delta-ATD NMDA receptor
Descriptor: (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Song, X, Gouaux, E.
Deposit date:2017-01-30
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Mechanism of NMDA receptor channel block by MK-801 and memantine.
Nature, 556, 2018
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