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4JWH
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BU of 4jwh by Molmil
Crystal structure of spTrm10(Full length)-SAH complex
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine(9)-N1)-methyltransferase
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
4JWJ
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BU of 4jwj by Molmil
Crystal structure of scTrm10(84)-SAH complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
4JWG
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BU of 4jwg by Molmil
Crystal structure of spTrm10(74)
Descriptor: ACETIC ACID, tRNA (guanine(9)-N1)-methyltransferase
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
8J0H
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BU of 8j0h by Molmil
Crystal structure of the fission yeast Rex1BD protein(C4H3.06)
Descriptor: Uncharacterized protein C4H3.06
Authors:Li, J, Sun, W, Chen, Y.
Deposit date:2023-04-11
Release date:2023-11-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.383 Å)
Cite:The SUN-family protein Sad1 mediates heterochromatin spatial organization through interaction with histone H2A-H2B.
Nat Commun, 15, 2024
6G24
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BU of 6g24 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 3
Descriptor: 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid, 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 (2.1 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2C
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BU of 6g2c by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 9
Descriptor: 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-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 (1.76 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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
6G2O
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BU of 6g2o by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound BI-9321
Descriptor: Histone-lysine N-methyltransferase NSD3, [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine
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 (1.81 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G27
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BU of 6g27 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 5
Descriptor: 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one, 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 (1.65 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G29
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BU of 6g29 by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 6
Descriptor: 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one, 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 (1.7 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
6G2E
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BU of 6g2e by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 13
Descriptor: Histone-lysine N-methyltransferase NSD3, [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine
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 (1.85 Å)
Cite:Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
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
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
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
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
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
6IVC
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BU of 6ivc by Molmil
The full length of TGEV nsp1
Descriptor: nsp1 protein
Authors:Shen, Z, Peng, G.Q.
Deposit date:2018-12-03
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 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
6IEU
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BU of 6ieu by Molmil
The structure of TRIM66 PHD-Bromo domain with unmodified H3 N terminal peptide
Descriptor: ALA-ARG-THR-LYS-GLN-THR-ALA-ARG-LYS-SER-THR-GLY, GLYCEROL, Tripartite motif-containing protein 66, ...
Authors:Chen, J.
Deposit date:2018-09-17
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:TRIM66 reads unmodified H3R2K4 and H3K56ac to respond to DNA damage in embryonic stem cells.
Nat Commun, 10, 2019
8GCY
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BU of 8gcy by Molmil
Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ...
Authors:Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-03-03
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
8SQF
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BU of 8sqf by Molmil
OXA-48 bound to inhibitor CDD-2725
Descriptor: (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase
Authors:Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T.
Deposit date:2023-05-04
Release date:2024-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library.
J.Med.Chem., 67, 2024

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数据于2024-05-29公开中

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