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4ER0
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BU of 4er0 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor FED1
Descriptor: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER7
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BU of 4er7 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor SGC0947
Descriptor: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
6G3T
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BU of 6g3t by Molmil
X-ray structure of NSD3-PWWP1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-26
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2F
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BU of 6g2f by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 16
Descriptor: 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-23
Release date:2019-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G3P
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BU of 6g3p by Molmil
X-ray structure of seleno-methionine labelled NSD3-PWWP1
Descriptor: Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-26
Release date:2019-06-26
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6HHO
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BU of 6hho by Molmil
Crystal structure of RIP1 kinase in complex with GSK547
Descriptor: 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
Authors:Thorpe, J.H, Harris, P.A.
Deposit date:2018-08-28
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:RIP1 Kinase Drives Macrophage-Mediated Adaptive Immune Tolerance in Pancreatic Cancer.
Cancer Cell, 34, 2018
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
4ER3
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BU of 4er3 by Molmil
Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777
Descriptor: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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
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
4ER6
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BU of 4er6 by Molmil
Crystal structure of human DOT1L in complex with inhibitor SGC0946
Descriptor: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ...
Authors:Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
6G25
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BU of 6g25 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 4
Descriptor: 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-22
Release date:2019-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.432 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2B
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BU of 6g2b by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 8
Descriptor: 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3
Authors:Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2018-03-22
Release date:2019-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6I8L
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BU of 6i8l by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor TD001851a
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-20
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
6IVD
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BU of 6ivd by Molmil
TGEV nsp1 mutant - 91-95sg
Descriptor: nsp1 mutant protein
Authors:Shen, Z, Peng, G.Q.
Deposit date:2018-12-03
Release date:2019-08-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:A conserved region of nonstructural protein 1 from alphacoronaviruses inhibits host gene expression and is critical for viral virulence.
J.Biol.Chem., 294, 2019
6IET
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BU of 6iet by Molmil
The crystal structure of TRIM66 PHD-Bromo domain
Descriptor: Tripartite motif-containing protein 66, ZINC ION
Authors:Chen, J.
Deposit date:2018-09-17
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:TRIM66 reads unmodified H3R2K4 and H3K56ac to respond to DNA damage in embryonic stem cells.
Nat Commun, 10, 2019
6I8B
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BU of 6i8b by Molmil
Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn
Descriptor: 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ...
Authors:Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
Deposit date:2018-11-19
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
J.Med.Chem., 62, 2019
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
8Y6U
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BU of 8y6u by Molmil
Cryo-EM structure of E.coli transcription initiation complex with transcription factor GcvA
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Shi, J.
Deposit date:2024-02-03
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:NMR analysis of a loop-bulge structure of UUCGA pentaloop.
Biochem.Biophys.Res.Commun., 691, 2024
6UE6
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BU of 6ue6 by Molmil
PWWP1 domain of NSD2 in complex with MR837
Descriptor: 4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide, Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, De Freitas, R.F, Schapira, M, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2019-09-20
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2.
J.Med.Chem., 64, 2021
6UVK
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BU of 6uvk by Molmil
OXA-48 bound by inhibitor CDD-97
Descriptor: 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ...
Authors:Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G.
Deposit date:2019-11-02
Release date:2020-05-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries.
Acs Infect Dis., 6, 2020
3PHD
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BU of 3phd by Molmil
Crystal structure of human HDAC6 in complex with ubiquitin
Descriptor: Histone deacetylase 6, Polyubiquitin, ZINC ION
Authors:Dong, A, Qui, W, Ravichandran, M, Schuetz, A, Loppnau, P, Li, F, Mackenzie, F, Kozieradzki, I, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2010-11-03
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein Aggregates Are Recruited to Aggresome by Histone Deacetylase 6 via Unanchored Ubiquitin C Termini.
J.Biol.Chem., 287, 2012
1QFD
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BU of 1qfd by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI)
Descriptor: PROTEIN (ALPHA-AMYLASE INHIBITOR)
Authors:Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S.
Deposit date:1999-04-08
Release date:1999-07-16
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth.
J.Biol.Chem., 274, 1999
8HIH
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BU of 8hih by Molmil
Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Shi, J, Xu, J.C.
Deposit date:2022-11-20
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023

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数据于2024-06-19公开中

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