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6BGF
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BU of 6bgf by Molmil
Crystal structure of cysteine-bound ferrous form of the crosslinked human cysteine dioxygenase
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ...
Authors:Liu, A, Li, J, Shin, I.
Deposit date:2017-10-28
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat.Chem.Biol., 14, 2018
8VXQ
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BU of 8vxq by Molmil
Cryo-EM structure of phage DEV ejection proteins gp72:gp73
Descriptor: N4 gp52-like protein, gp72
Authors:Iglesias, S.M, Cingolani, G.
Deposit date:2024-02-05
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Integrative structural analysis of Pseudomonas phage DEV reveals a genome ejection motor.
Res Sq, 2024
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-04-13
Release date:2018-05-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
6CBY
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BU of 6cby by Molmil
Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975
Descriptor: N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone
Authors:ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-02-05
Release date:2018-03-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
6AGG
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BU of 6agg by Molmil
Crystal structure of agmatine-AMPPCP-Mg complexed TiaS (tRNAIle2 agmatidine synthetase)
Descriptor: ACETATE ION, AGMATINE, AMMONIUM ION, ...
Authors:Dong, J.S, Gong, W.M.
Deposit date:2018-08-11
Release date:2018-09-05
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
8Y13
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BU of 8y13 by Molmil
Cryo-EM structure of anti-phage defense associated DSR2 tetramer (H171A)
Descriptor: SIR2-like domain-containing protein
Authors:Li, F.X, Shi, Z.B, Wang, R.W, Xu, Q, Yang, R, Wu, Z.X.
Deposit date:2024-01-23
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
5XOB
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BU of 5xob by Molmil
Crystal structure of apo TiaS (tRNAIle2 agmatidine synthetase)
Descriptor: MAGNESIUM ION, ZINC ION, tRNA(Ile2) 2-agmatinylcytidine synthetase TiaS
Authors:Dong, J.
Deposit date:2017-05-27
Release date:2018-08-29
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
4H12
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BU of 4h12 by Molmil
The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-09-10
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
6E68
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BU of 6e68 by Molmil
NAMPT co-crystal with inhibitor compound 2
Descriptor: (2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Waight, A.B, Neumann, C.S.
Deposit date:2018-07-24
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:NAMPT co-crystal with inhibitor compound 2
to be published
2Z60
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BU of 2z60 by Molmil
Crystal Structure of the T315I Mutant of Abl kinase bound with PPY-A
Descriptor: 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Zhou, T, Dalgarno, D, Zhu, X.
Deposit date:2007-07-21
Release date:2007-09-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of the T315I Mutant of Abl Kinase
Chem.Biol.Drug Des., 70, 2007
8GN3
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BU of 8gn3 by Molmil
The crystal structure of ZBTB10 ZF1-2 in complex with telomeric vairant repeat TTGGGG
Descriptor: DNA (5'-D(*AP*TP*AP*CP*AP*AP*CP*CP*CP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*GP*GP*TP*TP*GP*TP*A)-3'), ZINC ION, ...
Authors:Li, F.D, Wang, S.M.
Deposit date:2022-08-22
Release date:2023-08-30
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the recognition of telomeric variant repeat TTGGGG by broad-complex, tramtrack and bric-a-brac - zinc finger protein ZBTB10.
J.Biol.Chem., 299, 2023
8GN4
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BU of 8gn4 by Molmil
The crystal structure of ZBTB10 ZF1-2 R767Q in complex with telomeric DNA TTAGGG
Descriptor: DNA (5'-D(*AP*TP*AP*TP*AP*AP*CP*CP*CP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*GP*TP*TP*AP*TP*A)-3'), ZINC ION, ...
Authors:Li, F.D, Wang, S.M.
Deposit date:2022-08-22
Release date:2023-08-30
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the recognition of telomeric variant repeat TTGGGG by broad-complex, tramtrack and bric-a-brac - zinc finger protein ZBTB10.
J.Biol.Chem., 299, 2023
5XWR
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BU of 5xwr by Molmil
Crystal Structure of RBBP4-peptide complex
Descriptor: Histone-binding protein RBBP4, MET-SER-ARG-ARG-LYS-GLN-ALA-LYS-PRO-GLN-HIS-ILE
Authors:Jobichen, C, Lui, B.H, Daniel, G.T, Sivaraman, J.
Deposit date:2017-06-30
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Targeting cancer addiction for SALL4 by shifting its transcriptome with a pharmacologic peptide.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5YBJ
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BU of 5ybj by Molmil
Structure of apo KANK1 ankyrin domain
Descriptor: GLYCEROL, KN motif and ankyrin repeat domain-containing protein 1
Authors:Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2017-09-05
Release date:2017-12-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.341 Å)
Cite:Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
5YBV
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BU of 5ybv by Molmil
The structure of the KANK2 ankyrin domain with the KIF21A peptide
Descriptor: GLYCEROL, KN motif and ankyrin repeat domain-containing protein 2, Kinesin-like protein KIF21A, ...
Authors:Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2017-09-05
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
5YBU
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BU of 5ybu by Molmil
Structure of the KANK1 ankyrin domain in complex with KIF21A peptide
Descriptor: KN motif and ankyrin repeat domain-containing protein 1, Kinesin-like protein KIF21A
Authors:Guo, Q, Liao, S, Min, J, Xu, C, Structural Genomics Consortium (SGC)
Deposit date:2017-09-05
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis for the recognition of kinesin family member 21A (KIF21A) by the ankyrin domains of KANK1 and KANK2 proteins.
J. Biol. Chem., 293, 2018
6A06
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BU of 6a06 by Molmil
Structure of pSTING complex
Descriptor: SULFATE ION, Stimulator of interferon genes protein, cGAMP
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A04
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BU of 6a04 by Molmil
Structure of pSTING complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A05
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BU of 6a05 by Molmil
Structure of pSTING complex
Descriptor: 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A03
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BU of 6a03 by Molmil
Structure of pSTING complex
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
7UBO
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BU of 7ubo by Molmil
Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor CCD-956
Descriptor: Bromodomain testis-specific protein, DIMETHYL SULFOXIDE, N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide
Authors:Ta, H.M, Modukuri, R.K, Yu, Z, Tan, Z, Matzuk, M.M, Kim, C.
Deposit date:2022-03-15
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of potent BET bromodomain 1 stereoselective inhibitors using DNA-encoded chemical library selections.
Proc.Natl.Acad.Sci.USA, 119, 2022
5XPI
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BU of 5xpi by Molmil
Structure of UHRF1 TTD in complex with NV01
Descriptor: E3 ubiquitin-protein ligase UHRF1, N-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide
Authors:Luo, X, Zhao, K.
Deposit date:2017-06-02
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Small-Molecule Antagonists of the H3K9me3 Binding to UHRF1 Tandem Tudor Domain
SLAS Discov, 23, 2018
8XJ4
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BU of 8xj4 by Molmil
Structure of prostatic acid phosphatase in human semen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prostatic acid phosphatase, alpha-D-mannopyranose, ...
Authors:Liu, X.Z, Li, J.L, Deng, D, Wang, X.
Deposit date:2023-12-20
Release date:2024-02-28
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Purification, identification and Cryo-EM structure of prostatic acid phosphatase in human semen.
Biochem.Biophys.Res.Commun., 702, 2024
5ARG
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BU of 5arg by Molmil
SMYD2 in complex with SGC probe BAY-598
Descriptor: GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ...
Authors:Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H.
Deposit date:2015-09-24
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.
J.Med.Chem., 59, 2016
5B88
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BU of 5b88 by Molmil
RRM-like domain of DEAD-box protein, CsdA
Descriptor: ATP-dependent RNA helicase DeaD
Authors:Xu, L, Peng, J, Zhang, J, Wu, J, Tang, Y, Shi, Y.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017

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