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6OX0
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BU of 6ox0 by Molmil
SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX3
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BU of 6ox3 by Molmil
SETD3 in Complex with an Actin Peptide with His73 Replaced with Lysine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.785 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX5
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BU of 6ox5 by Molmil
A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX2
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BU of 6ox2 by Molmil
SETD3in Complex with an Actin Peptide with the Target Histidine Fully Methylated
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
8EX1
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BU of 8ex1 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
Descriptor: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX0
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BU of 8ex0 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV
Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
4B4A
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BU of 4b4a by Molmil
Structure of the TatC core of the twin arginine protein translocation system
Descriptor: Lauryl Maltose Neopentyl Glycol, SEC-INDEPENDENT PROTEIN TRANSLOCASE PROTEIN TATC
Authors:Rollauer, S.E, Tarry, M.J, Jaaskelainen, M, Graham, J.E, Jaeger, F, Krehenbrink, M, Roversi, P, McDowell, M.A, Stansfeld, P.J, Johnson, S, Liu, S.M, Lukey, M.J, Marcoux, J, Robinson, C.V, Sansom, M.S, Palmer, T, Hogbom, M, Berks, B.C, Lea, S.M.
Deposit date:2012-07-30
Release date:2012-12-05
Last modified:2012-12-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of the Tatc Core of the Twin-Arginine Protein Transport System.
Nature, 49, 2012
4DGP
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BU of 4dgp by Molmil
The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2)
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
Deposit date:2012-01-26
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
8YLB
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BU of 8ylb by Molmil
Cocrystal structures of agonists compound 1 with HsClpP
Descriptor: 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Zhao, N, Zhu, Y, Bao, R.
Deposit date:2024-03-06
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity.
J.Med.Chem., 67, 2024
5TBP
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BU of 5tbp by Molmil
Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Aleshin, A.E, Liddington, R.C, Su, Y, Zhang, X.
Deposit date:2016-09-12
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXR alpha.
Nat Commun, 8, 2017
6GSY
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BU of 6gsy by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: GLUTATHIONE, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSV
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BU of 6gsv by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSU
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BU of 6gsu by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSW
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BU of 6gsw by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GSX
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BU of 6gsx by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3, SULFATE ION
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
6GST
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BU of 6gst by Molmil
FIRST-SPHERE AND SECOND-SPHERE ELECTROSTATIC EFFECTS IN THE ACTIVE SITE OF A CLASS MU GLUTATHIONE TRANSFERASE
Descriptor: GLUTATHIONE, MU CLASS GLUTATHIONE S-TRANSFERASE OF ISOENZYME 3-3
Authors:Xiao, G, Ji, X, Armstrong, R.N, Gilliland, G.L.
Deposit date:1996-01-26
Release date:1996-11-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:First-sphere and second-sphere electrostatic effects in the active site of a class mu gluthathione transferase.
Biochemistry, 35, 1996
1H3H
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BU of 1h3h by Molmil
Structural Basis for Specific Recognition of an RxxK-containing SLP-76 peptide by the Gads C-terminal SH3 domain
Descriptor: GRB2-RELATED ADAPTOR PROTEIN 2, LYMPHOCYTE CYTOSOLIC PROTEIN 2
Authors:Liu, Q, Berry, D, Nash, P, Pawson, T, McGlade, C.J, Li, S.S.
Deposit date:2002-09-03
Release date:2003-03-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for Specific Binding of the Gads SH3 Domain to an Rxxk Motif-Containing Slp-76 Peptide: A Novel Mode of Peptide Recognition
Mol.Cell, 11, 2003
4WXX
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BU of 4wxx by Molmil
The crystal structure of human DNMT1(351-1600)
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Zhang, Z.M, Song, J.
Deposit date:2014-11-14
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.622 Å)
Cite:Crystal Structure of Human DNA Methyltransferase 1.
J.Mol.Biol., 427, 2015
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
6Y6H
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BU of 6y6h by Molmil
Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe
Descriptor: 1,2-ETHANEDIOL, 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B
Authors:Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-26
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
6Y6F
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BU of 6y6f by Molmil
Crystal structure of STK17B (DRAK2) in complex with PKIS43
Descriptor: 1,2-ETHANEDIOL, 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B
Authors:Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-26
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
6J9M
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BU of 6j9m by Molmil
NmeBH+AcrIIC2
Descriptor: AcrIIC2, CRISPR-associated endonuclease Cas9
Authors:Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
Deposit date:2019-01-23
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
6J9K
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BU of 6j9k by Molmil
Apo-AcrIIC2
Descriptor: AcrIIC2, MAGNESIUM ION
Authors:Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
Deposit date:2019-01-23
Release date:2019-03-06
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.234 Å)
Cite:Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
6J9L
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BU of 6j9l by Molmil
FnoBH+AcrIIC2
Descriptor: AcrIIC2, HNH endonuclease family protein
Authors:Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
Deposit date:2019-01-23
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
6J9N
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BU of 6j9n by Molmil
NmeHNH+AcrIIC3
Descriptor: AcrIIC3, CRISPR-associated endonuclease Cas9
Authors:Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
Deposit date:2019-01-23
Release date:2019-03-06
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019

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