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6BPH
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BU of 6bph by Molmil
Crystal structure of the chromodomain of RBBP1
Descriptor: AT-rich interactive domain-containing protein 4A, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-11-23
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of chromo barrel domain of RBBP1.
Biochem. Biophys. Res. Commun., 496, 2018
3RQ4
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BU of 3rq4 by Molmil
Crystal structure of suppressor of variegation 4-20 homolog 2
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SUV420H2, S-ADENOSYLMETHIONINE, ...
Authors:Dong, A, Zeng, H, Tempel, W, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-04-27
Release date:2011-06-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2.
Febs Lett., 587, 2013
7EN3
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BU of 7en3 by Molmil
Crystal structure of tubulin in complex with Tubulysin analogue TGL
Descriptor: (2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Li, W.
Deposit date:2021-04-15
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.643 Å)
Cite:The X-ray structure of tubulysin analogue TGL in complex with tubulin and three possible routes for the development of next-generation tubulysin analogues.
Biochem.Biophys.Res.Commun., 565, 2021
3UD5
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BU of 3ud5 by Molmil
Crystal structure of E. coli HPPK in complex with bisubstrate analogue inhibitor J1A
Descriptor: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine
Authors:Shaw, G, Shi, G, Ji, X.
Deposit date:2011-10-27
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.
Bioorg.Med.Chem., 20, 2012
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
3PS3
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BU of 3ps3 by Molmil
Crystal structure of the Escherichia Coli LPXC/LPC-053 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2010-11-30
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold.
Bioorg.Med.Chem., 19, 2011
3IP0
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BU of 3ip0 by Molmil
Crystal structure of E. coli HPPK in complex with MgAMPCPP and 6-hydroxymethylpterin/6-carboxypterin
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 6-CARBOXYPTERIN, 6-HYDROXYMETHYLPTERIN, ...
Authors:Blaszczyk, J, Ji, X.
Deposit date:2009-08-15
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Dynamic roles of arginine residues 82 and 92 of Escherichia coli 6-hydroxymethyl-7,8-dihydroptein pyrophosphokinase: Crystallographic studies
Biochemistry, 42, 2003
2FLO
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BU of 2flo by Molmil
Crystal structure of exopolyphosphatase (PPX) from E. coli O157:H7
Descriptor: Exopolyphosphatase
Authors:Rangarajan, E.S, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-01-06
Release date:2006-06-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Exopolyphosphatase (PPX) from Escherichia coli O157:H7 Suggests a Binding Mode for Long Polyphosphate Chains.
J.Mol.Biol., 359, 2006
2AI6
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BU of 2ai6 by Molmil
Solution structure of human phosphohistidine phosphatase 1
Descriptor: 14 kDa phosphohistidine phosphatase
Authors:Gong, W, Cui, G, Jin, C, Xia, B.
Deposit date:2005-07-29
Release date:2006-10-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure and catalytic mechanism of human protein histidine phosphatase 1.
Biochem.J., 418, 2009
2FNI
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BU of 2fni by Molmil
PseC aminotransferase involved in pseudoaminic acid biosynthesis
Descriptor: PYRIDOXAL-5'-PHOSPHATE, aminotransferase
Authors:Cygler, M, Matte, A, Lunin, V.V, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-01-11
Release date:2006-01-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Characterization of PseC, an Aminotransferase Involved in the Biosynthesis of Pseudaminic Acid, an Essential Flagellar Modification in Helicobacter pylori
J.Biol.Chem., 281, 2006
2FNU
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BU of 2fnu by Molmil
PseC aminotransferase with external aldimine
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, aminotransferase
Authors:Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-01-11
Release date:2006-01-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Functional Characterization of PseC, an Aminotransferase Involved in the Biosynthesis of Pseudaminic Acid, an Essential Flagellar Modification in Helicobacter pylori
J.Biol.Chem., 281, 2006
2FN6
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BU of 2fn6 by Molmil
Helicobacter pylori PseC, aminotransferase involved in the biosynthesis of pseudoaminic acid
Descriptor: AMINOTRANSFERASE, PHOSPHATE ION
Authors:Cygler, M, Lunin, V.V, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2006-01-10
Release date:2006-01-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Structural and Functional Characterization of PseC, an Aminotransferase Involved in the Biosynthesis of Pseudaminic Acid, an Essential Flagellar Modification in Helicobacter pylori
J.Biol.Chem., 281, 2006
7CT5
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BU of 7ct5 by Molmil
S protein of SARS-CoV-2 in complex bound with T-ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Guo, L, Bi, W.W, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q, Dang, B.B.
Deposit date:2020-08-18
Release date:2020-11-18
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Engineered trimeric ACE2 binds viral spike protein and locks it in "Three-up" conformation to potently inhibit SARS-CoV-2 infection.
Cell Res., 31, 2021
2F53
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BU of 2f53 by Molmil
Directed Evolution of Human T-cell Receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without apparent cross-reactivity
Descriptor: Beta-2-microglobulin, Cancer/testis antigen 1B, GLYCEROL, ...
Authors:Rizkallah, P.J, Jakobsen, B.K, Dunn, S.M, Sami, M.
Deposit date:2005-11-25
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Directed evolution of human T cell receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without increasing apparent cross-reactivity.
Protein Sci., 15, 2006
2I0E
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BU of 2i0e by Molmil
Structure of catalytic domain of human protein kinase C beta II complexed with a bisindolylmaleimide inhibitor
Descriptor: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Protein Kinase C-beta II
Authors:Grodsky, N.B, Love, R.L.
Deposit date:2006-08-10
Release date:2006-11-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the Catalytic Domain of Human Protein Kinase C beta II Complexed with a Bisindolylmaleimide Inhibitor
Biochemistry, 45, 2006
2FUQ
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BU of 2fuq by Molmil
Crystal Structure of Heparinase II
Descriptor: FORMIC ACID, PHOSPHATE ION, ZINC ION, ...
Authors:Shaya, D, Cygler, M.
Deposit date:2006-01-27
Release date:2006-04-18
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structure of Heparinase II from Pedobacter heparinus and Its Complex with a Disaccharide Product.
J.Biol.Chem., 281, 2006
3LIP
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BU of 3lip by Molmil
OPEN CONFORMATION OF PSEUDOMONAS CEPACIA LIPASE
Descriptor: CALCIUM ION, TRIACYL-GLYCEROL-HYDROLASE
Authors:Lang, D.A, Schomburg, D.
Deposit date:1997-04-18
Release date:1997-06-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The open conformation of a Pseudomonas lipase.
Structure, 5, 1997
7XML
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BU of 7xml by Molmil
Cryo-EM structure of PEIP-Bs_enolase complex
Descriptor: Enolase, MAGNESIUM ION, Putative gene 60 protein
Authors:Li, S, Zhang, K.
Deposit date:2022-04-26
Release date:2022-07-27
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bacteriophage protein PEIP is a potent Bacillus subtilis enolase inhibitor.
Cell Rep, 40, 2022
1VRH
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BU of 1vrh by Molmil
HRV14/SDZ 880-061 COMPLEX
Descriptor: 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14
Authors:Oren, D.A, Zhang, A, Arnold, E.
Deposit date:1996-02-26
Release date:1997-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14.
J.Mol.Biol., 259, 1996
8XQP
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BU of 8xqp by Molmil
Structure of human class T GPCR TAS2R14-Gustducin complex with Aristolochic acid A.
Descriptor: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQN
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BU of 8xqn by Molmil
Structure of human class T GPCR TAS2R14-DNGi complex with Aristolochic acid A.
Descriptor: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQL
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BU of 8xql by Molmil
Structure of human class T GPCR TAS2R14-miniGs/gust complex with Aristolochic acid A.
Descriptor: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQO
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BU of 8xqo by Molmil
Structure of human class T GPCR TAS2R14-Gi complex with Aristolochic acid A.
Descriptor: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQR
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Structure 2 of human class T GPCR TAS2R14-miniGs/gust complex with Flufenamic acid.
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8W5C
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BU of 8w5c by Molmil
Crystal structure of FGFR4 kinase domain in complex with 8K
Descriptor: Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide
Authors:Zhang, Z.M, Huang, H.S.
Deposit date:2023-08-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024

223532

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