5SGH
 
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(nc2c1cnn2C)OCc3nc(cn3C)c4ccccc4)N5CCOCC5, micromolar IC50=0.010108 | | Descriptor: | 1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Groebke-Zbinden, K, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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2PWB
 | | Crystal structure of the complex of proteinase K with coumarin at 1.9 A resolution | | Descriptor: | CALCIUM ION, COUMARIN, NITRATE ION, ... | | Authors: | Singh, A.K, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-05-11 | | Release date: | 2007-05-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the complex of proteinase K with coumarin at 1.9A resolution
To be Published
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3QPF
 | | Analysis of a New Family of Widely Distributed Metal-independent alpha-Mannosidases Provides Unique Insight into the Processing of N-linked Glycans, Streptococcus pneumoniae SP_2144 apo-structure | | Descriptor: | 1,2-ETHANEDIOL, Putative uncharacterized protein | | Authors: | Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J. | | Deposit date: | 2011-02-12 | | Release date: | 2011-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
J.Biol.Chem., 286, 2011
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2D17
 | | Solution RNA structure of stem-bulge-stem region of the HIV-1 dimerization initiation site | | Descriptor: | 5'-R(*CP*GP*GP*CP*AP*AP*GP*AP*GP*GP*CP*GP*AP*CP*CP*C)-3', 5'-R(*GP*GP*GP*UP*CP*GP*GP*CP*UP*UP*GP*CP*UP*G)-3' | | Authors: | Baba, S, Takahashi, K, Noguchi, S, Takaku, H, Koyanagi, Y, Yamamoto, N, Kawai, G. | | Deposit date: | 2005-08-15 | | Release date: | 2005-11-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution RNA structures of the HIV-1 dimerization initiation site in the kissing-loop and extended-duplex dimers.
J.Biochem.(Tokyo), 138, 2005
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5SHW
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cc1nc(nn1cc2)c3ccccc3)CO, micromolar IC50=1.751269 | | Descriptor: | MAGNESIUM ION, ZINC ION, [(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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5SKR
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(cc(n1C)NC(c2nn(cc2c3ccncc3)C)=O)c4ncccc4, micromolar IC50=0.124219 | | Descriptor: | 1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide, MAGNESIUM ION, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Koerner, M, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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3F58
 | | IGG1 FAB FRAGMENT (58.2) COMPLEX WITH 12-RESIDUE CYCLIC PEPTIDE (INCLUDING RESIDUES 315-324 OF HIV-1 GP120 (MN ISOLATE); H315S MUTATION | | Descriptor: | PROTEIN (CYCLIC PEPTIDE (GP120)), PROTEIN (IMMUNOGLOBULIN GAMMA I (58.2)) | | Authors: | Stanfield, R.L, Cabezas, E, Satterthwait, A.C, Stura, E.A, Profy, A.T, Wilson, I.A. | | Deposit date: | 1998-10-23 | | Release date: | 1999-02-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Dual conformations for the HIV-1 gp120 V3 loop in complexes with different neutralizing fabs.
Structure Fold.Des., 7, 1999
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3NNA
 | | Crystal Structure of CUGBP1 RRM1/2-RNA Complex | | Descriptor: | CUGBP Elav-like family member 1, RNA (5'-R(*GP*UP*UP*GP*UP*UP*UP*UP*GP*UP*UP*U)-3') | | Authors: | Teplova, M, Song, J, Gaw, H, Teplov, A, Patel, D.J. | | Deposit date: | 2010-06-23 | | Release date: | 2010-10-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Structural Insights into RNA Recognition by the Alternate-Splicing Regulator CUG-Binding Protein 1.
Structure, 18, 2010
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1PCW
 | | Aquifex aeolicus KDO8PS in complex with cadmium and APP, a bisubstrate inhibitor | | Descriptor: | 1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION | | Authors: | Xu, X, Wang, J, Grison, C, Petek, S, Coutrot, P, Birck, M, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2003-05-17 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase.
Drug DES.DISCOVERY, 18, 2003
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1PAM
 | | CYCLODEXTRIN GLUCANOTRANSFERASE | | Descriptor: | CALCIUM ION, CYCLODEXTRIN GLUCANOTRANSFERASE | | Authors: | Harata, K, Haga, K, Nakamura, A, Aoyagi, M, Yamane, K. | | Deposit date: | 1996-07-08 | | Release date: | 1997-01-11 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray structure of cyclodextrin glucanotransferase from alkalophilic Bacillus sp. 1011. Comparison of two independent molecules at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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1GIH
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR | | Descriptor: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Ikuta, M, Nishimura, S. | | Deposit date: | 2001-02-06 | | Release date: | 2002-02-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystallographic approach to identification of cyclin-dependent kinase 4 (CDK4)-specific inhibitors by using CDK4 mimic CDK2 protein.
J.Biol.Chem., 276, 2001
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1N95
 | | Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives | | Descriptor: | 1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | | Authors: | Gwaltney II, S.L, O'Conner, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z. | | Deposit date: | 2002-11-22 | | Release date: | 2003-01-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Aryl tetrahydropyridine inhibitors of farnesyltransferase: glycine, phenylalanine and histidine derivatives.
Bioorg.Med.Chem.Lett., 13, 2003
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3ZGB
 | | Greater efficiency of photosynthetic carbon fixation due to single amino acid substitution | | Descriptor: | 1,2-ETHANEDIOL, ASPARTIC ACID, PHOSPHOENOLPYRUVATE CARBOXYLASE, ... | | Authors: | Paulus, J.K, Schlieper, D, Groth, G. | | Deposit date: | 2012-12-17 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Greater Efficiency of Photosynthetic Carbon Fixation due to Single Amino Acid Substitution
Nat.Commun., 4, 2013
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1BJ6
 | | 1H NMR OF (12-53) NCP7/D(ACGCC) COMPLEX, 10 STRUCTURES | | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*C)-3'), NUCLEOCAPSID PROTEIN 7, ZINC ION | | Authors: | Demene, H, Morellet, N, Teilleux, V, Huynh-Dinh, T, De Rocquigny, H, Fournie-Zaluski, M.C, Roques, B.P. | | Deposit date: | 1998-07-03 | | Release date: | 1999-02-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the complex between the HIV-1 nucleocapsid protein NCp7 and the single-stranded pentanucleotide d(ACGCC).
J.Mol.Biol., 283, 1998
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3NG9
 | | Structure to Function Correlations for Adeno-associated Virus Serotype 1 | | Descriptor: | 6-AMINOPYRIMIDIN-2(1H)-ONE, ADENINE, Capsid protein | | Authors: | Govindasamy, L, Miller, E.B, Gurda, B, McKenna, R, Zolotukhin, S, Muzyczka, N, Agbandje-McKenna, M. | | Deposit date: | 2010-06-11 | | Release date: | 2011-12-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure to Function Correlations for Adeno-Associated Virus serotype 1
To be Published
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6KVV
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4DJY
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5R81
 | | PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z1367324110 | | Descriptor: | 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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6JPA
 | | Rabbit Cav1.1-Verapamil Complex | | Descriptor: | (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Zhao, Y, Huang, G, Wu, J, Yan, N. | | Deposit date: | 2019-03-26 | | Release date: | 2019-06-12 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019
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4G50
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1GLF
 | | CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Feese, M.D, Faber, H.R, Bystrom, C.E, Pettigrew, D.W, Remington, S.J. | | Deposit date: | 1998-08-30 | | Release date: | 1998-10-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Glycerol kinase from Escherichia coli and an Ala65-->Thr mutant: the crystal structures reveal conformational changes with implications for allosteric regulation.
Structure, 6, 1998
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4FT5
 | | Crystal Structure of the CHK1 | | Descriptor: | 1-{5-chloro-2-[(3R)-pyrrolidin-3-yloxy]phenyl}-3-(5-cyanopyrazin-2-yl)urea, GLYCEROL, SULFATE ION, ... | | Authors: | Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J. | | Deposit date: | 2012-06-27 | | Release date: | 2012-08-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the CHK1
To be Published
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4M97
 | | Calcium-Dependent Protein Kinase 1 from Neospora caninum | | Descriptor: | Calmodulin-like domain protein kinase isoenzyme gamma, related | | Authors: | Merritt, E.A. | | Deposit date: | 2013-08-14 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
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4DRQ
 | | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | | Authors: | Gopalakrishnan, R, Kozany, C, Wang, Y, Hoogeland, B, Bracher, A, Hausch, F, Schneider, S. | | Deposit date: | 2012-02-17 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52.
J.Med.Chem., 55, 2012
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1GM2
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