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2LN0
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BU of 2ln0 by Molmil
Structure of MOZ
Descriptor: Histone acetyltransferase KAT6A, ZINC ION
Authors:Qiu, Y.
Deposit date:2011-12-15
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Combinatorial readout of unmodified H3R2 and acetylated H3K14 by the tandem PHD finger of MOZ reveals a regulatory mechanism for HOXA9 transcription.
Genes Dev., 26, 2012
5CPR
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BU of 5cpr by Molmil
The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity
Descriptor: 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ...
Authors:Jakob, C.G, Upadhyay, A.K, Sun, C.
Deposit date:2015-07-21
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017
8K8J
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BU of 8k8j by Molmil
Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 Complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y.
Deposit date:2023-07-30
Release date:2024-02-14
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1.
Adv Sci, 11, 2024
4PHG
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BU of 4phg by Molmil
Crystal structure of Ypt7 covalently modified with GTP
Descriptor: GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(tetrahydrogen triphosphate), ...
Authors:Koch, D, Wiegandt, D, Vieweg, S, Hofmann, F, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S.
Deposit date:2014-05-06
Release date:2014-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Locking GTPases covalently in their functional states.
Nat Commun, 6, 2015
4PHH
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BU of 4phh by Molmil
Crystal structure of Ypt7 covalently modified with GNP
Descriptor: 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-N-[3-(propanoylamino)propyl]guanosine, CHLORIDE ION, GTP-binding protein YPT7, ...
Authors:Wiegandt, D, Vieweg, S, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S.
Deposit date:2014-05-06
Release date:2014-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Locking GTPases covalently in their functional states.
Nat Commun, 6, 2015
6I8Y
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BU of 6i8y by Molmil
Crystal structure of Spindlin1 in complex with the Methyltransferase inhibitor A366
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, ...
Authors:Srikannathasan, V, Johansson, C, Gileadi, C, Shrestha, L, Sorrell, F.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-21
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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
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
4PHF
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BU of 4phf by Molmil
Crystal structure of Ypt7 covalently modified with GDP
Descriptor: GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate), ...
Authors:Vieweg, S, Wiegandt, D, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S.
Deposit date:2014-05-06
Release date:2014-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Locking GTPases covalently in their functional states.
Nat Commun, 6, 2015
6NM4
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BU of 6nm4 by Molmil
Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor
Descriptor: 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ...
Authors:Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-01-10
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of a chemical probe for PRDM9.
Nat Commun, 10, 2019
5WC2
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BU of 5wc2 by Molmil
Crystal Structure of ADP-bound human TRIP13
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Pachytene checkpoint protein 2 homolog
Authors:Jeong, B.-C, Luo, X.
Deposit date:2017-06-29
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic insight into TRIP13-catalyzed Mad2 structural transition and spindle checkpoint silencing.
Nat Commun, 8, 2017
8POJ
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BU of 8poj by Molmil
TEAD2 in complex with an inhibitor
Descriptor: 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
Authors:Guichou, J.F.
Deposit date:2023-07-05
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
8PON
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BU of 8pon by Molmil
TEAD2 in complex with an inhibitor
Descriptor: 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
Authors:Guichou, J.F.
Deposit date:2023-07-05
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
8POM
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BU of 8pom by Molmil
TEAD2 in complex with an inhibitor
Descriptor: 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid, GLYCEROL, Transcriptional enhancer factor TEF-4
Authors:Guichou, J.F.
Deposit date:2023-07-05
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
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
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
2LNW
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BU of 2lnw by Molmil
Identification and structural basis for a novel interaction between Vav2 and Arap3
Descriptor: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3, Guanine nucleotide exchange factor VAV2
Authors:Wu, B, Zhang, J, Wu, J, Shi, Y.
Deposit date:2012-01-05
Release date:2012-11-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Identification and structural basis for a novel interaction between Vav2 and Arap3.
J.Struct.Biol., 180, 2012
5OLT
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BU of 5olt by Molmil
Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium
Descriptor: CITRIC ACID, Cellulose biosynthesis protein BcsG, ZINC ION
Authors:Vella, P, Polyakova, A, Lindqvist, Y, Schnell, R, Bourenkov, G, Schneider, T, Schneider, G.
Deposit date:2017-07-28
Release date:2018-08-08
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
2LNX
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BU of 2lnx by Molmil
Solution structure of Vav2 SH2 domain
Descriptor: Guanine nucleotide exchange factor VAV2
Authors:Wu, B, Zhang, J, Wu, J, Shi, Y.
Deposit date:2012-01-05
Release date:2012-11-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Identification and structural basis for a novel interaction between Vav2 and Arap3.
J.Struct.Biol., 180, 2012
2LUY
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BU of 2luy by Molmil
Solution structure of the tandem zinc finger domain of fission yeast Stc1
Descriptor: Meiotic chromosome segregation protein P8B7.28c, ZINC ION
Authors:He, C, Shi, Y, Bayne, E, Wu, J.
Deposit date:2012-06-22
Release date:2013-05-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural analysis of Stc1 provides insights into the coupling of RNAi and chromatin modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
5OJH
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BU of 5ojh by Molmil
Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium
Descriptor: CITRATE ANION, Cellulose biosynthesis protein BcsG, ZINC ION
Authors:Schneider, G, Vella, P, Lindqvist, Y, Schnell, R.
Deposit date:2017-07-21
Release date:2018-08-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
3V53
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BU of 3v53 by Molmil
Crystal structure of human RBM25
Descriptor: RNA-binding protein 25
Authors:Gong, D.S.
Deposit date:2011-12-16
Release date:2012-12-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure and functional characterization of the human RBM25 PWI domain and its flanking basic region
Biochem.J., 450, 2013
8VF6
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BU of 8vf6 by Molmil
Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211
Descriptor: Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
Authors:Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M.
Deposit date:2023-12-21
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Reversible male contraception by targeted inhibition of serine/threonine kinase 33.
Science, 384, 2024
7E9Q
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BU of 7e9q by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7E9O
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BU of 7e9o by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(3 up RBDs, state2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-03-09
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022

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