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6W9I
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SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
Descriptor: 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
Authors:Sack, J.S.
Deposit date:2020-03-23
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.608 Å)
Cite:Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
5NU5
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Crystal structure of the human bromodomain of EP300 bound to the inhibitor XDM-CBP
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase p300, ~{N}-[[2,8-bis(oxidanyl)naphthalen-1-yl]methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Huegle, M, Wohlwend, D.
Deposit date:2017-04-28
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
8HJJ
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Anti-CRISPR protein AcrIC9
Descriptor: Anti-CRISPR protein Type I-C9
Authors:Kang, Y.J, Park, H.H.
Deposit date:2022-11-23
Release date:2023-09-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of AcrIC9 revealing the putative inhibitory mechanism of AcrIC9 against the type IC CRISPR-Cas system.
Iucrj, 10, 2023
8C2S
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BU of 8c2s by Molmil
Cryo-EM structure NDUFS4 knockout complex I from Mus musculus heart (Class 1).
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Yin, Z, Bridges, H.R, Agip, A.N.A, Hirst, J.
Deposit date:2022-12-22
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into respiratory complex I deficiency and assembly from the mitochondrial disease-related ndufs4 -/- mouse.
Embo J., 43, 2024
1GGM
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GLYCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH GLYCYL-ADENYLATE
Descriptor: GLYCYL-ADENOSINE-5'-PHOSPHATE, Glycine--tRNA ligase
Authors:Arnez, J.G, Moras, D.
Deposit date:1999-01-27
Release date:1999-01-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Glycyl-tRNA synthetase uses a negatively charged pit for specific recognition and activation of glycine.
J.Mol.Biol., 286, 1999
8CA3
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Cryo-EM structure NDUFS4 knockout complex I from Mus musculus heart (Class 2).
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Yin, Z, Bridges, H.R, Agip, A.N.A, Hirst, J.
Deposit date:2023-01-24
Release date:2023-12-20
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into respiratory complex I deficiency and assembly from the mitochondrial disease-related ndufs4 -/- mouse.
Embo J., 43, 2024
6WAD
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Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
Descriptor: 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Halabelian, L, Zeng, H, Dong, A, Schapira, M, De Freitas, R.F, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2020-03-25
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor
to be published
4KBZ
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Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2) with (S)-{2-[2-(5-Cyano-3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetylamino}-phenyl-acetic acid
Descriptor: (2S)-({[2-(5-cyano-3-hydroxypyridin-2-yl)-1,3-thiazol-4-yl]acetyl}amino)(phenyl)ethanoic acid, Egl nine homolog 1, FE (II) ION, ...
Authors:Kim, H.T, Hong, Y.R, Chang, H.J.
Deposit date:2013-04-24
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:

5PZX
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Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-methoxy-3-(2-methylpropyl)phenyl]sulfonylurea
Descriptor: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-methoxy-3-(2-methylpropyl)benzene-1-sulfonamide
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-18
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[4-methoxy-3-(2-methylpropyl)phenyl]sulfonylurea
To be published
1G2L
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FACTOR XA INHIBITOR COMPLEX
Descriptor: CALCIUM ION, COAGULATION FACTOR X, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
Authors:Nar, H.
Deposit date:2000-10-20
Release date:2001-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
1G30
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THROMBIN INHIBITOR COMPLEX
Descriptor: HIRUDIN IIB, PROTHROMBIN, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
Authors:Nar, H.
Deposit date:2000-10-23
Release date:2001-10-23
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
4KRU
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BU of 4kru by Molmil
X-ray structure of catalytic domain of endolysin from clostridium perfringens phage phiSM101
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Autolytic lysozyme, ...
Authors:Kamitori, S, Yoshida, H.
Deposit date:2013-05-17
Release date:2014-04-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:X-ray structure of a novel endolysin encoded by episomal phage phiSM101 of Clostridium perfringens.
Mol.Microbiol., 92, 2014
1IZE
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BU of 1ize by Molmil
Crystal structure of Aspergillus oryzae Aspartic proteinase complexed with pepstatin
Descriptor: Pepstatin, alpha-D-mannopyranose, aspartic proteinase
Authors:Kamitori, S, Ohtaki, A, Ino, H, Takeuchi, M.
Deposit date:2002-10-02
Release date:2003-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Aspergillus oryzae aspartic proteinase and its complex with an inhibitor pepstatin at 1.9A resolution.
J.Mol.Biol., 326, 2003
5PZZ
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Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea
Descriptor: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3,4-dichlorobenzene-1-sulfonamide
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-28
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)sulfonylurea
To be published
5HZM
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Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:DONG, A, ZENG, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, MIN, J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
7NR4
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X-RAY STRUCTURE OF PRMT6 IN COMPLEX WITH indazole type inhibitor
Descriptor: (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Steuber, H.
Deposit date:2021-03-02
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Rational Design and Synthesis of Selective PRMT4 Inhibitors: A New Chemotype for Development of Cancer Therapeutics*.
Chemmedchem, 16, 2021
2H68
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Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Descriptor: WD-repeat protein 5
Authors:Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
Deposit date:2006-05-30
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
2H6K
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Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Descriptor: Histone H3 K4-Me 9-residue peptide, WD-repeat protein 5
Authors:Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
Deposit date:2006-05-31
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
7NSI
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BU of 7nsi by Molmil
55S mammalian mitochondrial ribosome with mtRRF (pre) and tRNA(P/E)
Descriptor: 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ...
Authors:Kummer, E, Schubert, K, Ban, N.
Deposit date:2021-03-07
Release date:2021-06-02
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis of translation termination, rescue, and recycling in mammalian mitochondria.
Mol.Cell, 81, 2021
5Q02
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Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylurea
Descriptor: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-18
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylurea
To be published
2H9L
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WDR5delta23
Descriptor: SULFATE ION, WD-repeat protein 5
Authors:Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-06-10
Release date:2006-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
5HZC
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BU of 5hzc by Molmil
Crystal structure of the complex PPARgamma/AL26-29
Descriptor: 2-methyl-2-[4-(naphthalen-1-yl)phenoxy]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A.
Deposit date:2016-02-02
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for PPAR partial or full activation revealed by a novel ligand binding mode.
Sci Rep, 6, 2016
6VZG
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Cryo-EM structure of Sth1-Arp7-Arp9-Rtt102
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-like protein ARP9, Actin-related protein 7, ...
Authors:Leschziner, A.E, Baker, R.W.
Deposit date:2020-02-28
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural insights into assembly and function of the RSC chromatin remodeling complex.
Nat.Struct.Mol.Biol., 28, 2021
5Q05
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BU of 5q05 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
Descriptor: Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-20
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
To be published
3VBV
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Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 8-hydroxyquinoline-2-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012

224931

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