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6OPH
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BU of 6oph by Molmil
phosphorylated ERK2 with GDC-0994
Descriptor: 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
Authors:Vigers, G.P, Smith, D.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
1BIX
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BU of 1bix by Molmil
THE CRYSTAL STRUCTURE OF THE HUMAN DNA REPAIR ENDONUCLEASE HAP1 SUGGESTS THE RECOGNITION OF EXTRA-HELICAL DEOXYRIBOSE AT DNA ABASIC SITES
Descriptor: AP ENDONUCLEASE 1, PLATINUM (II) ION, SAMARIUM (III) ION
Authors:Gorman, M.A, Morera, S, Rothwell, D.G, De La Fortelle, E, Mol, C.D, Tainer, J.A, Hickson, I.D, Freemont, P.S.
Deposit date:1998-06-19
Release date:1999-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of the human DNA repair endonuclease HAP1 suggests the recognition of extra-helical deoxyribose at DNA abasic sites.
EMBO J., 16, 1997
8BB2
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BU of 8bb2 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
Descriptor: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
To Be Published
8BB3
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BU of 8bb3 by Molmil
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
Descriptor: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Doelle, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-12
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
To Be Published
5HLF
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BU of 5hlf by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A 38-MER HAIRPIN TEMPLATE-PRIMER DNA APTAMER AND AN ALPHA-CARBOXYPHOSPHONATE INHIBITOR
Descriptor: DNA (38-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ...
Authors:Das, K, Arnold, E.
Deposit date:2016-01-15
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Exploring the role of the alpha-carboxyphosphonate moiety in the HIV-RT activity of alpha-carboxy nucleoside phosphonates.
Org.Biomol.Chem., 14, 2016
5HLY
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BU of 5hly by Molmil
Structure of Pro-Activin A Precursor at 2.3 A Resolution
Descriptor: CHLORIDE ION, Inhibin beta A chain
Authors:Wang, X, Fischer, G, Hyvonen, M.
Deposit date:2016-01-15
Release date:2016-07-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structure and activation of pro-activin A.
Nat Commun, 7, 2016
5HQ8
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BU of 5hq8 by Molmil
Co-crystal Structure of human SMYD3 with a MEKK2 peptide at 2.13A
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Elkins, P.A, Bonnette, W.G.
Deposit date:2016-01-21
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure, 24, 2016
4JQE
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BU of 4jqe by Molmil
Crystal structure of scCK2 alpha in complex with AMPPN
Descriptor: Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Liu, H.
Deposit date:2013-03-20
Release date:2014-03-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
6OT6
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BU of 6ot6 by Molmil
Rat ERK2 D319N
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION
Authors:Taylor, C.A, Goldsmith, E.J, Cobb, M.H.
Deposit date:2019-05-02
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
5HT1
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BU of 5ht1 by Molmil
Structure of apo C. glabrata FKBP12
Descriptor: FK506-binding protein 1
Authors:Schumacher, M.A.
Deposit date:2016-01-26
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
5HW8
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BU of 5hw8 by Molmil
Candida albicans FKBP12 P104G protein bound with FK506 in C2 space group
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506-binding protein 1
Authors:Tonthat, N.K, Schumacher, M.A.
Deposit date:2016-01-28
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
5HUA
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BU of 5hua by Molmil
Structure of C. glabrata FKBP12-FK506 complex
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506-binding protein 1
Authors:Schumacher, M.A.
Deposit date:2016-01-27
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
6OPG
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BU of 6opg by Molmil
phosphorylated ERK2 with AMP-PNP
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Vigers, G.P, Smith, D.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
8H3Q
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BU of 8h3q by Molmil
Cryo-EM Structure of the CAND1-Cul3-Rbx1 complex
Descriptor: Cullin-3, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Hu, Y, Mao, Q, Chen, Z, Sun, L.
Deposit date:2022-10-09
Release date:2023-10-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
5HW7
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BU of 5hw7 by Molmil
Candida albicans FKBP12 apo protein in P21212 space group
Descriptor: FK506-binding protein 1
Authors:Tonthat, N.K, Schumacher, M.A.
Deposit date:2016-01-28
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
7NH4
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BU of 7nh4 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
7NH5
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BU of 7nh5 by Molmil
Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
Descriptor: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2021-02-10
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cellular model system to dissect the isoform-selectivity of Akt inhibitors.
Nat Commun, 12, 2021
5HTG
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BU of 5htg by Molmil
Structure of apo P1 form of Candida albicans FKBP12
Descriptor: FK506-binding protein 1
Authors:Schumacher, M.A.
Deposit date:2016-01-26
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
7VV9
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BU of 7vv9 by Molmil
Crystal Structure of HRas(GMPPNP-bound) in complex with the Ras-binding domain(RBD) of SIN1
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Zheng, Y.Y, Zhou, C.
Deposit date:2021-11-05
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into Ras regulation by SIN1.
Proc.Natl.Acad.Sci.USA, 119, 2022
5I98
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BU of 5i98 by Molmil
Structure of apo FKBP12(P104G) from C. albicans
Descriptor: FK506-binding protein 1
Authors:Schumacher, M.A.
Deposit date:2016-02-19
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
7N40
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BU of 7n40 by Molmil
Crystal structure of LIN9-RbAp48-LIN37, a MuvB subcomplex
Descriptor: Histone-binding protein RBBP4, Isoform 2 of Protein lin-9 homolog, Protein lin-37 homolog
Authors:Asthana, A, Ramanan, P, Tripathi, S.M, Rubin, S.M.
Deposit date:2021-06-02
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The MuvB complex binds and stabilizes nucleosomes downstream of the transcription start site of cell-cycle dependent genes.
Nat Commun, 13, 2022
6OPK
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BU of 6opk by Molmil
Phosphorylated ERK2 with Vertex-11e
Descriptor: 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1
Authors:Vigers, G.P, Rudolph, J.
Deposit date:2019-04-25
Release date:2019-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OTS
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BU of 6ots by Molmil
Rat ERK2 E320K
Descriptor: Mitogen-activated protein kinase 1
Authors:Taylor, C.A, Cormier, K.W, Juang, Y.-C, Goldsmith, E.J, Cobb, M.H.
Deposit date:2019-05-03
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
8C60
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BU of 8c60 by Molmil
Cryo-EM structure of the human SIN3B full-length complex at 3.4 Angstrom resolution
Descriptor: CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ...
Authors:Alfieri, C, Wan, S.M, Muhammad, R.
Deposit date:2023-01-10
Release date:2023-05-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
4XJ0
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BU of 4xj0 by Molmil
Crystal structure of ERK2 in complex with an inhibitor 14K
Descriptor: 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2015-01-08
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015

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