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7NWG
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BU of 7nwg by Molmil
Mammalian pre-termination 80S ribosome with Hybrid P/E- and A/P-site tRNA's bound by Blasticidin S.
Descriptor: 18S Ribosomal RNA, 28S Ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
7NWI
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BU of 7nwi by Molmil
Mammalian pre-termination 80S ribosome with Empty-A site bound by Blasticidin S
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA+BlaS, 40S ribosomal protein S11, ...
Authors:Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C.
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA.
Nucleic Acids Res., 49, 2021
4S0Z
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BU of 4s0z by Molmil
Crystal structure of M26V human DJ-1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1
Authors:Milkovic, N.M, Wilson, M.A.
Deposit date:2015-01-07
Release date:2015-08-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature.
Protein Sci., 24, 2015
1B39
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BU of 1b39 by Molmil
HUMAN CYCLIN-DEPENDENT KINASE 2 PHOSPHORYLATED ON THR 160
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (CELL DIVISION PROTEIN KINASE 2)
Authors:Brown, N.R, Noble, M.E.M, Lawrie, A.M, Morris, M.C, Tunnah, P, Divita, G, Johnson, L.N, Endicott, J.A.
Deposit date:1998-12-17
Release date:1998-12-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity.
J.Biol.Chem., 274, 1999
5SYA
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BU of 5sya by Molmil
Atomic resolution structure of D24N mutant human DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
4J71
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BU of 4j71 by Molmil
Crystal Structure of GSK3b in complex with inhibitor 1R
Descriptor: (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ...
Authors:Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-02-12
Release date:2013-03-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
3CBP
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BU of 3cbp by Molmil
Set7/9-ER-Sinefungin complex
Descriptor: BETA-MERCAPTOETHANOL, Estrogen receptor, GLYCEROL, ...
Authors:Cheng, X, Jia, D.
Deposit date:2008-02-22
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
6WAD
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BU of 6wad by Molmil
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
1W98
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BU of 1w98 by Molmil
The structural basis of CDK2 activation by cyclin E
Descriptor: CELL DIVISION PROTEIN KINASE 2, G1/S-SPECIFIC CYCLIN E1
Authors:Lowe, E.D, Honda, R, Dubinina, E, Skamnaki, V, Cook, A, Johnson, L.N.
Deposit date:2004-10-07
Release date:2005-02-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Structure of Cyclin E1/Cdk2: Implications for Cdk2 Activation and Cdk2-Independent Roles
Embo J., 24, 2005
3GW2
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BU of 3gw2 by Molmil
Crystal structure of possible transcriptional regulatory protein (fragment 1-100) from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR242E.
Descriptor: Possible transcriptional regulatory arsR-family protein
Authors:Kuzin, A.P, Su, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-03-31
Release date:2009-04-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Northeast Structural Genomics Consortium Target MbR242E
To be published
1AQ1
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BU of 1aq1 by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE
Descriptor: CYCLIN-DEPENDENT PROTEIN KINASE 2, STAUROSPORINE
Authors:Endicott, J.A, Noble, M.E.M, Johnson, L.N, Lawrie, A, Tunnah, P, Brown, N.R.
Deposit date:1997-08-05
Release date:1997-11-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2.
Nat.Struct.Biol., 4, 1997
3C3G
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BU of 3c3g by Molmil
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone
Descriptor: GLYCEROL, alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1VYZ
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BU of 1vyz by Molmil
Structure of CDK2 complexed with PNU-181227
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE
Authors:Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, G, Martina, K, Lfritzen, E, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, W, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A.
Deposit date:2004-05-07
Release date:2004-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding
J.Med.Chem., 47, 2004
1W8C
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BU of 1w8c by Molmil
CO-CRYSTAL STRUCTURE OF 6-CYCLOHEXYLMETHOXY-8-ISOPROPYL-9H-PURIN-2- YLAMINE AND MONOMERIC CDK2
Descriptor: 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE, CELL DIVISION PROTEIN KINASE 2
Authors:Pratt, D.J, Endicott, J.A, Noble, M.E.M.
Deposit date:2004-09-20
Release date:2006-08-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
1VYW
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BU of 1vyw by Molmil
Structure of CDK2/Cyclin A with PNU-292137
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE, ...
Authors:Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, P, Martina, K, Fritzen, E.L, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, A, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A.
Deposit date:2004-05-07
Release date:2004-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. Part 1. Lead Finding
J.Med.Chem., 47, 2004
3AZD
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BU of 3azd by Molmil
Crystal structure of tropomyosin N-terminal fragment at 0.98A resolution
Descriptor: short alpha-tropomyosin,transcription factor GCN4
Authors:Meshcheryakov, V.A, Krieger, I, Kostyukova, A.S, Samatey, F.A.
Deposit date:2011-05-23
Release date:2011-10-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Structure of a tropomyosin N-terminal fragment at 0.98 A resolution
Acta Crystallogr.,Sect.D, 67, 2011
3Q35
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BU of 3q35 by Molmil
Structure of the Rtt109-AcCoA/Vps75 complex and implications for chaperone-mediated histone acetylation
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, Histone acetyltransferase, ...
Authors:Tang, Y, Yuan, H, Meeth, K, Marmorstein, R.
Deposit date:2010-12-21
Release date:2011-02-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
1ZZ6
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BU of 1zz6 by Molmil
Crystal Structure of Apo-HppE
Descriptor: Hydroxypropylphosphonic Acid Epoxidase
Authors:Higgins, L.J, Yan, F, Liu, P, Liu, H.W, Drennan, C.L.
Deposit date:2005-06-13
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into antibiotic fosfomycin biosynthesis by a mononuclear iron enzyme
Nature, 437, 2005
3C3F
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BU of 3c3f by Molmil
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
Descriptor: alpha/beta peptide with the GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
Authors:Horne, W.S, Price, J.L, Gellman, S.H.
Deposit date:2008-01-28
Release date:2008-06-17
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2XYF
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BU of 2xyf by Molmil
HIV-1 Inhibitors with a Tertiary-Alcohol-containing Transition-State Mimic and various P2 and P1 prime Substituents
Descriptor: METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-THIOPHEN-3-YLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, PROTEASE
Authors:Ohrngren, P, Wu, X, Persson, M, Ekegren, J.K, Wallberg, H, Rosenquist, A, Samuelsson, B, Unge, T, Larhed, M.
Deposit date:2010-11-17
Release date:2011-12-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:HIV-1 Protease Inhibitors with a Tertiary Alcohol Containing Transition-State Mimic and Various P2 and P1' Substituents
Med.Chem.Commun., 2, 2011
1ZZ9
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BU of 1zz9 by Molmil
Crystal Structure of FeII HppE
Descriptor: FE (II) ION, Hydroxypropylphosphonic Acid Epoxidase, SULFATE ION
Authors:Higgins, L.J, Yan, F, Liu, P, Liu, H.W, Drennan, C.L.
Deposit date:2005-06-13
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insight into antibiotic fosfomycin biosynthesis by a mononuclear iron enzyme
Nature, 437, 2005
3GJP
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BU of 3gjp by Molmil
Crystal structure of mutant coiled coil GCN4 leucine zipper
Descriptor: General control protein GCN4
Authors:Honnappa, S, Steinmetz, M.O.
Deposit date:2009-03-09
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of coiled-coil oligomerization-state specificity
Proc.Natl.Acad.Sci.USA, 107, 2010
3CBO
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BU of 3cbo by Molmil
SET7/9-ER-AdoHcy complex
Descriptor: BETA-MERCAPTOETHANOL, Estrogen receptor, GLYCEROL, ...
Authors:Cheng, X, Jia, D.
Deposit date:2008-02-22
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
3CBM
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BU of 3cbm by Molmil
SET7/9-ER-AdoMet complex
Descriptor: BETA-MERCAPTOETHANOL, Estrogen receptor, Histone-lysine N-methyltransferase SETD7, ...
Authors:Cheng, X, Jia, D.
Deposit date:2008-02-22
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
5R9L
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BU of 5r9l by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14274a in complex with MAP kinase p38-alpha
Descriptor: (3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol, CHLORIDE ION, MAGNESIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020

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