4TZ8
| Structure of human ATAD2 bromodomain bound to fragment inhibitor | Descriptor: | 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | Deposit date: | 2014-07-09 | Release date: | 2014-10-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2. J.Med.Chem., 57, 2014
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4TZB
| Structure of NDM-Metallo-beta-lactamase | Descriptor: | CADMIUM ION, COBALT (II) ION, Metallo-beta-lactamase, ... | Authors: | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2014-07-09 | Release date: | 2015-07-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.029 Å) | Cite: | Structure of Metallo-beta-lactamase To Be Published
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4U98
| Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway (AppCp complex) | Descriptor: | MAGNESIUM ION, Maltokinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Fraga, J, Empadinhas, N, Pereira, P.J.B, Macedo-Ribeiro, S. | Deposit date: | 2014-08-05 | Release date: | 2015-02-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway. Sci Rep, 5, 2015
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4U9G
| Crystal structure of an H-NOX protein from S. oneidensis in the Fe(II)CO ligation state, Q154A/Q155A/K156A mutant | Descriptor: | CARBON MONOXIDE, NO-binding heme-dependent sensor protein, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A. | Deposit date: | 2014-08-06 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins. Proc.Natl.Acad.Sci.USA, 111, 2014
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4UYN
| SAR156497 an exquisitely selective inhibitor of Aurora kinases | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | Authors: | Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C. | Deposit date: | 2014-09-02 | Release date: | 2014-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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4U34
| Crystal Structures of RNA Duplexes Containing 2-thio-Uridine | Descriptor: | RNA (5'-R(*GP*GP*AP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*(SUR)P*CP*C-3') | Authors: | Sheng, J, Larsen, A, Heuberger, B, Blain, J.C, Szostak, J.W. | Deposit date: | 2014-07-18 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure Studies of RNA Duplexes Containing s(2)U:A and s(2)U:U Base Pairs. J.Am.Chem.Soc., 136, 2014
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4U4L
| Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase NDM-1, GLYCEROL, ... | Authors: | Kosmopoulou, M, Hinchliffe, P, Spencer, J. | Deposit date: | 2014-07-23 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor To Be Published
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4UA4
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4U47
| Octameric RNA duplex soaked in terbium(III)chloride | Descriptor: | RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3'), TERBIUM(III) ION | Authors: | Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O. | Deposit date: | 2014-07-23 | Release date: | 2015-08-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations. Int J Mol Sci, 17, 2016
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4U6K
| Crystal structure of DNA/RNA duplex containing 2'-4'-BNA-NC | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*(NCU)P*(NTT)P*CP*TP*TP*CP*TP*(NTT)P*(NCU))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3') | Authors: | Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H. | Deposit date: | 2014-07-29 | Release date: | 2015-08-19 | Last modified: | 2022-07-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA. Chem.Commun.(Camb.), 52, 2016
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4U3P
| Octameric RNA duplex co-crystallized with strontium(II)chloride | Descriptor: | RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3'), STRONTIUM ION | Authors: | Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O. | Deposit date: | 2014-07-22 | Release date: | 2015-07-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.866 Å) | Cite: | The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations. Int J Mol Sci, 17, 2016
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4U3R
| Octameric RNA duplex co-crystallized with cobalt(II)chloride | Descriptor: | COBALT (II) ION, RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3') | Authors: | Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O. | Deposit date: | 2014-07-22 | Release date: | 2015-07-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations. Int J Mol Sci, 17, 2016
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4U94
| Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway | Descriptor: | MAGNESIUM ION, Maltokinase | Authors: | Fraga, J, Empadinhas, N, Pereira, P.J.B, Macedo-Ribeiro, S. | Deposit date: | 2014-08-05 | Release date: | 2015-02-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.473 Å) | Cite: | Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway. Sci Rep, 5, 2015
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4U4C
| The molecular architecture of the TRAMP complex reveals the organization and interplay of its two catalytic activities | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent RNA helicase DOB1, CHLORIDE ION, ... | Authors: | Falk, S, Weir, J.R, Hentschel, J, Reichelt, P, Bonneau, F, Conti, E. | Deposit date: | 2014-07-23 | Release date: | 2014-09-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Molecular Architecture of the TRAMP Complex Reveals the Organization and Interplay of Its Two Catalytic Activities. Mol.Cell, 55, 2014
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4UEI
| Solution structure of the sterol carrier protein domain 2 of Helicoverpa armigera | Descriptor: | STEROL CARRIER PROTEIN 2/3-OXOACYL-COA THIOLASE | Authors: | Liu, X, Ma, H, Yan, X, Hong, H, Peng, J, Peng, R. | Deposit date: | 2014-12-18 | Release date: | 2015-12-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | NMR Structure and Function of Helicoverpa Armigera Sterol Carrier Protein-2, an Important Insecticidal Target from the Cotton Bollworm. Sci.Rep., 5, 2015
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4U8Z
| Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) | Descriptor: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-05 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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4U6M
| Crystal structure of DNA/RNA duplex obtained in the presence of Spermine | Descriptor: | DNA (5'-D(*(5CM)P*TP*CP*TP*TP*CP*TP*TP*(5CM))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3') | Authors: | Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H. | Deposit date: | 2014-07-29 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA. Chem.Commun.(Camb.), 52, 2016
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6WIV
| Structure of human GABA(B) receptor in an inactive state | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Park, J, Fu, Z, Frangaj, A, Liu, J, Mosyak, L, Shen, T, Slavkovich, V.N, Ray, K.M, Taura, J, Cao, B, Geng, Y, Zuo, H, Kou, Y, Grassucci, R, Chen, S, Liu, Z, Lin, X, Williams, J.P, Rice, W.J, Eng, E.T, Huang, R.K, Soni, R.K, Kloss, B, Yu, Z, Javitch, J.A, Hendrickson, W.A, Slesinger, P.A, Quick, M, Graziano, J, Yu, H, Fiehn, O, Clarke, O.B, Frank, J, Fan, Q.R. | Deposit date: | 2020-04-10 | Release date: | 2020-07-01 | Last modified: | 2020-08-26 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of human GABABreceptor in an inactive state. Nature, 584, 2020
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4TWN
| Human EphA3 Kinase domain in complex with Birb796 | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Ephrin type-A receptor 3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-07-01 | Release date: | 2015-05-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.706 Å) | Cite: | Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases. Acs Med.Chem.Lett., 6, 2015
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4TWR
| Structure of UDP-glucose 4-epimerase from Brucella abortus | Descriptor: | NAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Horanyi, P.S, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-07-01 | Release date: | 2014-10-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of UDP-glucose 4-epimerase from Brucella melitensis To Be Published
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4TZ2
| Fragment-Based Screening of the Bromodomain of ATAD2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline, ATPase family AAA domain-containing protein 2, ... | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | Deposit date: | 2014-07-09 | Release date: | 2014-10-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2. J.Med.Chem., 57, 2014
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4U38
| RNA duplex containing UU mispair | Descriptor: | RNA (5'-R(*GP*GP*UP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3') | Authors: | Sheng, J, Larsen, A, Heuberger, B, Blain, J.C, Szostak, J.W. | Deposit date: | 2014-07-18 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure Studies of RNA Duplexes Containing s(2)U:A and s(2)U:U Base Pairs. J.Am.Chem.Soc., 136, 2014
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4TUX
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4TVR
| Tandem Tudor and PHD domains of UHRF2 | Descriptor: | E3 ubiquitin-protein ligase UHRF2, UNKNOWN ATOM OR ION, ZINC ION | Authors: | Walker, J.R, Dong, A, Zhang, Q, Ong, M, Duan, S, Li, Y, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure of the Tandem Tudor and PHD domains of UHRF2 To be published
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4TX8
| Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRATE ANION, ... | Authors: | Pereira, H.M, Lobo, M.D.P, Brandao-Neto, J, Grangeiro, T.B. | Deposit date: | 2014-07-02 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal Structure of a Family GH18 Chitinase from Chromobacterium violaceum To Be Published
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