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8UWP
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BU of 8uwp by Molmil
Crystal structure of SETDB1 Tudor domain in complex with MR46747
Descriptor: (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ...
Authors:Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-11-07
Release date:2023-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of SETDB1 Tudor domain in complex with MR46747
To be published
6OID
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BU of 6oid by Molmil
Redox Regulation of FN3K from Arabidopsis thaliana
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Wood, Z.A, Kadirvelraj, R, Shrestha, S.
Deposit date:2019-04-09
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.365 Å)
Cite:A redox-active switch in fructosamine-3-kinases expands the regulatory repertoire of the protein kinase superfamily.
Sci.Signal., 13, 2020
8BTK
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BU of 8btk by Molmil
Structure of the TRAP complex with the Sec translocon and a translating ribosome
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ...
Authors:Jaskolowski, M, Jomaa, A, Gamerdinger, M, Shrestha, S, Leibundgut, M, Deuerling, E, Ban, N.
Deposit date:2022-11-29
Release date:2023-05-24
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis of the TRAP complex function in ER protein biogenesis.
Nat.Struct.Mol.Biol., 30, 2023
4HBN
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BU of 4hbn by Molmil
Crystal structure of the human HCN4 channel C-terminus carrying the S672R mutation
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PHOSPHATE ION, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Authors:Xu, X, Marni, F, Wu, X, Su, Z, Musayev, F, Shrestha, S, Xie, C, Gao, W, Liu, Q, Zhou, L.
Deposit date:2012-09-28
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Local and Global Interpretations of a Disease-Causing Mutation near the Ligand Entry Path in Hyperpolarization-Activated cAMP-Gated Channel.
Structure, 20, 2012
6WI4
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BU of 6wi4 by Molmil
Caspases from Scleractinian Coral
Descriptor: ACE-DEVD inhibitor, Caspase-3
Authors:Clark, A.C, Swartz, P.D.
Deposit date:2020-04-08
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Caspases from scleractinian coral show unique regulatory features.
J.Biol.Chem., 295, 2020
7AKG
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BU of 7akg by Molmil
Crystal structure of STK17B with bound dovitinib
Descriptor: 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Serine/threonine-protein kinase 17B
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-09-30
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 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
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
6ZJF
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BU of 6zjf by Molmil
Crystal structure of STK17B (DRAK2) in complex with AP-229
Descriptor: 1,2-ETHANEDIOL, 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B
Authors:Chaikuad, A, Picado, A, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-06-28
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 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
6TSZ
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BU of 6tsz by Molmil
The ULK4 Pseudokinase Domain Bound To ATPgammaS
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase ULK4
Authors:Preuss, F, Chatterjee, D, Mathea, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2019-12-22
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleotide Binding, Evolutionary Insights, and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4.
Structure, 28, 2020
3LM5
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BU of 3lm5 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B
Authors:Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 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
6VVG
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BU of 6vvg by Molmil
Structure of the Cydia pomonella Granulovirus kinase, PK-1
Descriptor: ADENOSINE MONOPHOSPHATE, Arginine kinase
Authors:Oliver, M.R, Horne, C.R, Keown, J.R, Murphy, J.M, Metcalf, P.
Deposit date:2020-02-17
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix.
Nat Commun, 12, 2021
6PPM
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BU of 6ppm by Molmil
Ancestral Caspase 6
Descriptor: Ancestral Caspase-6 Large Subunit, Ancestral Caspase-6 small subunit, VAL-GLU-ILE-ASP Inhibitor
Authors:Clark, A.C.
Deposit date:2019-07-08
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Resurrection of ancestral effector caspases identifies novel networks for evolution of substrate specificity.
Biochem.J., 476, 2019
6PDQ
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BU of 6pdq by Molmil
Ancestral Effector Caspase 3/6/7
Descriptor: Ac-DEVD inhibitor, Ancestral Effector Caspase-3/6/7
Authors:Clark, A.C.
Deposit date:2019-06-19
Release date:2019-11-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Resurrection of ancestral effector caspases identifies novel networks for evolution of substrate specificity.
Biochem.J., 476, 2019

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