6PJX
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![BU of 6pjx by Molmil](/molmil-images/mine/6pjx) | Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (CaM) | Descriptor: | CALCIUM ION, Calmodulin, G protein-coupled receptor kinase 5, ... | Authors: | Bhardwaj, A, Komolov, K.E, Sulon, S, Benovic, J.L. | Deposit date: | 2019-06-28 | Release date: | 2020-12-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of a GRK5-Calmodulin Complex Reveals Molecular Mechanism of GRK Activation and Substrate Targeting. Mol.Cell, 81, 2021
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6PBE
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![BU of 6pbe by Molmil](/molmil-images/mine/6pbe) | ZINC17988990-bound TRPV5 in nanodiscs | Descriptor: | (4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate, Transient receptor potential cation channel subfamily V member 5 | Authors: | Hughes, T.E.T, Rosario, J.S.D, Kapoor, A, Yazici, A.T, Fluck, E.C, Filizola, M, Rohacs, T, Moiseenkova-Bell, V.Y. | Deposit date: | 2019-06-13 | Release date: | 2019-11-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structure-based characterization of novel TRPV5 inhibitors. Elife, 8, 2019
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6PKG
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![BU of 6pkg by Molmil](/molmil-images/mine/6pkg) | Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEXAETHYLENE GLYCOL, IODIDE ION, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme. Structure, 28, 2020
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4PVI
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![BU of 4pvi by Molmil](/molmil-images/mine/4pvi) | Crystal structure of GH62 hydrolase in complex with xylotriose | Descriptor: | GH62 hydrolase, PHOSPHATE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Nocek, B, Kaur, A.P, Xu, X, Cui, H, Savchenko, A. | Deposit date: | 2014-03-17 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal structure of GH62 hydrolase in complex with xylotriose TO BE PUBLISHED
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6PCW
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![BU of 6pcw by Molmil](/molmil-images/mine/6pcw) | Human PIM1 bound to benzothiophene inhibitor 213 | Descriptor: | 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide, GLYCEROL, Peptide, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-18 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PIM1 bound to benzothiophene inhibitor To Be Published
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2HKK
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![BU of 2hkk by Molmil](/molmil-images/mine/2hkk) | Carbonic anhydrase activators: Solution and X-ray crystallography for the interaction of andrenaline with various carbonic anhydrase isoforms | Descriptor: | Carbonic anhydrase 2, L-EPINEPHRINE, MERCURY (II) ION, ... | Authors: | Temperini, C, Innocenti, A, Vullo, D, Scozzafava, A, Supuran, C.T. | Deposit date: | 2006-07-05 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Carbonic anhydrase activators: L-Adrenaline plugs the active site entrance of isozyme II, activating better isoforms I, IV, VA, VII, and XIV. Bioorg.Med.Chem.Lett., 17, 2007
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5IPI
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![BU of 5ipi by Molmil](/molmil-images/mine/5ipi) | Structure of Adeno-associated virus type 2 VLP | Descriptor: | Capsid protein VP1 | Authors: | Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M. | Deposit date: | 2016-03-09 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging. J.Virol., 90, 2016
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1FE5
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![BU of 1fe5 by Molmil](/molmil-images/mine/1fe5) | SEQUENCE AND CRYSTAL STRUCTURE OF A BASIC PHOSPHOLIPASE A2 FROM COMMON KRAIT (BUNGARUS CAERULEUS) AT 2.4 RESOLUTION: IDENTIFICATION AND CHARACTERIZATION OF ITS PHARMACOLOGICAL SITES. | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | Authors: | Singh, G, Gourinath, S, Sharma, S, Paramasivam, M, Srinivasan, A, Singh, T.P. | Deposit date: | 2000-07-21 | Release date: | 2001-01-24 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Sequence and crystal structure determination of a basic phospholipase A2 from common krait (Bungarus caeruleus) at 2.4 A resolution: identification and characterization of its pharmacological sites. J.Mol.Biol., 307, 2001
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6PFN
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![BU of 6pfn by Molmil](/molmil-images/mine/6pfn) | Succinyl-CoA synthase from Francisella tularensis | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ... | Authors: | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-06-21 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Succinyl-CoA synthase from Francisella tularensis to be published
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5I1D
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![BU of 5i1d by Molmil](/molmil-images/mine/5i1d) | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV4-1 | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | Deposit date: | 2016-02-05 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural diversity in a human antibody germline library. Mabs, 8, 2016
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5IS4
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1P73
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![BU of 1p73 by Molmil](/molmil-images/mine/1p73) | Crystal structure of EHV4-TK complexed with TP4A | Descriptor: | P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, SULFATE ION, Thymidine kinase | Authors: | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | Deposit date: | 2003-04-30 | Release date: | 2003-11-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases. Structure, 11, 2003
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1F7T
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![BU of 1f7t by Molmil](/molmil-images/mine/1f7t) | HOLO-(ACYL CARRIER PROTEIN) SYNTHASE AT 1.8A | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... | Authors: | Parris, K.D, Lin, L, Tam, A, Mathew, R, Hixon, J, Stahl, M, Fritz, C.C, Seehra, J, Somers, W.S. | Deposit date: | 2000-06-27 | Release date: | 2001-06-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of substrate binding to Bacillus subtilis holo-(acyl carrier protein) synthase reveal a novel trimeric arrangement of molecules resulting in three active sites. Structure Fold.Des., 8, 2000
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6PA8
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![BU of 6pa8 by Molmil](/molmil-images/mine/6pa8) | |
4LRG
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![BU of 4lrg by Molmil](/molmil-images/mine/4lrg) | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | Authors: | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | Deposit date: | 2013-07-19 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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2TEP
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![BU of 2tep by Molmil](/molmil-images/mine/2tep) | PEANUT LECTIN COMPLEXED WITH T-ANTIGENIC DISACCHARIDE | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEANUT LECTIN), ... | Authors: | Ravishankar, R, Ravindran, M, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 1999-04-05 | Release date: | 1999-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Specificity of Peanut Agglutinin for Thomsen-Friedenreich Antigen is Mediated by Water-Bridges Curr.Sci., 72, 1997
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6P54
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![BU of 6p54 by Molmil](/molmil-images/mine/6p54) | |
1FFD
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![BU of 1ffd by Molmil](/molmil-images/mine/1ffd) | |
1P72
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![BU of 1p72 by Molmil](/molmil-images/mine/1p72) | Crystal structure of EHV4-TK complexed with Thy and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, THYMIDINE, ... | Authors: | Gardberg, A, Shuvalova, L, Monnerjahn, C, Konrad, M, Lavie, A. | Deposit date: | 2003-04-30 | Release date: | 2003-11-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the dual thymidine and thymidylate kinase activity of herpes thymidine kinases. Structure, 11, 2003
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1P82
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![BU of 1p82 by Molmil](/molmil-images/mine/1p82) | NMR STRUCTURE OF 1-25 FRAGMENT OF MYCOBACTERIUM TUBERCULOSIS CPN10 | Descriptor: | 10 kDa chaperonin | Authors: | Ciutti, A, Spiga, O, Giannozzi, E, Scarselli, M, Di Maro, D, Calamandrei, D, Niccolai, N, Bernini, A. | Deposit date: | 2003-05-06 | Release date: | 2003-05-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of 1-25 fragment of Cpn10 from Mycobacterium Tuberculosis To be Published
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6PJB
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![BU of 6pjb by Molmil](/molmil-images/mine/6pjb) | HIV-1 Protease NL4-3 WT in Complex with Lopinavir | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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6PJN
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![BU of 6pjn by Molmil](/molmil-images/mine/6pjn) | HIV-1 Protease NL4-3 WT in Complex with LR2-41 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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6PK6
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![BU of 6pk6 by Molmil](/molmil-images/mine/6pk6) | Human PRPF4B bound to benzothiophene inhibitor 329 | Descriptor: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | to be published To Be Published
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6EPI
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![BU of 6epi by Molmil](/molmil-images/mine/6epi) | |
1F8W
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![BU of 1f8w by Molmil](/molmil-images/mine/1f8w) | |