4N2P
| Structure of Archease from Pyrococcus horikoshii | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | Deposit date: | 2013-10-05 | Release date: | 2014-01-01 | Last modified: | 2020-09-23 | Method: | X-RAY DIFFRACTION (1.435 Å) | Cite: | A tRNA splicing operon: Archease endows RtcB with dual GTP/ATP cofactor specificity and accelerates RNA ligation. Nucleic Acids Res., 42, 2014
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2XB7
| Structure of Human Anaplastic Lymphoma Kinase in complex with NVP- TAE684 | Descriptor: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, ALK TYROSINE KINASE RECEPTOR | Authors: | Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A. | Deposit date: | 2010-04-08 | Release date: | 2010-07-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors. Biochemistry, 49, 2010
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2XBA
| Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429 | Descriptor: | 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium, ALK TYROSINE KINASE RECEPTOR | Authors: | Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A. | Deposit date: | 2010-04-08 | Release date: | 2010-07-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors. Biochemistry, 49, 2010
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2XO1
| xpt-pbuX C74U Riboswitch from B. subtilis bound to N6-methyladenine | Descriptor: | ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ... | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | Deposit date: | 2010-08-09 | Release date: | 2011-04-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
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2YAC
| Crystal structure of Polo-like kinase 1 in complex with NMS-P937 | Descriptor: | 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | Authors: | Bertrand, J.A, Bossi, R.T. | Deposit date: | 2011-02-18 | Release date: | 2011-04-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Nms-P937, a 4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline Derivative as Potent and Selective Polo-Like Kinase 1 Inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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4O8J
| Crystal structure of RtcA, the RNA 3'-terminal phosphate cyclase from Pyrococcus horikoshii, in complex with rACAAA3'phosphate and adenine. | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE, RNA, ... | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | Deposit date: | 2013-12-27 | Release date: | 2014-09-10 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure of RNA 3'-phosphate cyclase bound to substrate RNA. Rna, 20, 2014
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2X9E
| HUMAN MPS1 IN COMPLEX WITH NMS-P715 | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | Authors: | Colombo, R, Caldarelli, M, Mennecozzi, M, Giorgini, M.L, Sola, F, Cappella, P, Perrera, C, DePaolini, S.R, Rusconi, L, Cucchi, U, Avanzi, N, Bertrand, J.A, Bossi, R.T, Pesenti, E, Galvani, A, Isacchi, A, Colotta, F, Donati, D, Moll, J. | Deposit date: | 2010-03-17 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Targeting the Mitotic Checkpoint for Cancer Therapy with Nms-P715, an Inhibitor of Mps1 Kinase. Cancer Res., 70, 2010
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4L81
| Structure of the SAM-I/IV riboswitch (env87(deltaU92, deltaG93)) | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, S-ADENOSYLMETHIONINE, ... | Authors: | Trausch, J.J, Reyes, F.E, Edwards, A.L, Batey, R.T. | Deposit date: | 2013-06-15 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for diversity in the SAM clan of riboswitches. Proc.Natl.Acad.Sci.USA, 111, 2014
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2YIX
| Triazolopyridine Inhibitors of p38 | Descriptor: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | Deposit date: | 2011-05-17 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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2XO0
| xpt-pbuX C74U Riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening | Descriptor: | 1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R. | Deposit date: | 2010-08-09 | Release date: | 2011-04-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
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2YIW
| triazolopyridine inhibitors of p38 kinase | Descriptor: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | Authors: | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefamiak, M.H, Yeadon, M. | Deposit date: | 2011-05-17 | Release date: | 2011-11-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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4OQU
| Structure of the SAM-I/IV riboswitch (env87(deltaU92)) | Descriptor: | MAGNESIUM ION, S-ADENOSYLMETHIONINE, SAM-I/IV riboswitch | Authors: | Trausch, J.J, Reyes, F.E, Edwards, A.L, Batey, R.T. | Deposit date: | 2014-02-10 | Release date: | 2014-06-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for diversity in the SAM clan of riboswitches. Proc.Natl.Acad.Sci.USA, 111, 2014
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4O89
| Crystal structure of RtcA, the RNA 3'-terminal phosphate cyclase from Pyrococcus horikoshii. | Descriptor: | CITRIC ACID, RNA 3'-terminal phosphate cyclase | Authors: | Desai, K.K, Bingman, C.A, Phillips Jr, G.N, Raines, R.T. | Deposit date: | 2013-12-26 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of RNA 3'-phosphate cyclase bound to substrate RNA. Rna, 20, 2014
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4OJR
| Crystal Structure of the HIV-1 Integrase catalytic domain with GSK1264 | Descriptor: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, CACODYLATE ION, HIV-1 Integrase, ... | Authors: | Gupta, K, Brady, T, Dyer, B, Hwang, Y, Male, F, Nolte, R.T, Wang, L, Velthuisen, E, Jeffrey, J, Van Duyne, G, Bushman, F.D. | Deposit date: | 2014-01-21 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Allosteric Inhibition of Human Immunodeficiency Virus Integrase: LATE BLOCK DURING VIRAL REPLICATION AND ABNORMAL MULTIMERIZATION INVOLVING SPECIFIC PROTEIN DOMAINS. J.Biol.Chem., 289, 2014
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9BUN
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966C
| CRYSTAL STRUCTURE OF FIBROBLAST COLLAGENASE-1 COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID | Descriptor: | CALCIUM ION, MMP-1, N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE, ... | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | Deposit date: | 1998-08-07 | Release date: | 1999-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors. Nat.Struct.Biol., 6, 1999
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8IXV
| Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-03 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IZG
| Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-07 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IH4
| Crystal Structure of Intracellular B30.2 Domain of BTN2A2 Mutant | Descriptor: | Butyrophilin subfamily 2 member A2 | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2023-02-22 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IGT
| Crystal Structure of Intracellular B30.2 Domain of BTN2A1 | Descriptor: | Butyrophilin subfamily 2 member A1, ZINC ION | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2023-02-21 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IZE
| Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP | Descriptor: | Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2023-04-07 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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4XLY
| The complex structure of KS-D75C with substrate CPP | Descriptor: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150 | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | Deposit date: | 2015-01-14 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
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4XLX
| Crystal structure of BjKS from Bradyrhizobium japonicum | Descriptor: | Uncharacterized protein blr2150 | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | Deposit date: | 2015-01-14 | Release date: | 2015-02-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum. Sci Rep, 4, 2014
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4XWF
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4XW7
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