6ML2
| ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 1) | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*CP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ZINC ION, ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.874 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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5KAL
| Terminal uridylyl transferase 4 from Trypanosoma brucei with bound UTP and UpU | Descriptor: | MAGNESIUM ION, RNA (5'-R(*UP*U)-3'), RNA uridylyltransferase 4, ... | Authors: | Stagno, J.R, Luecke, H, Afasizhev, R. | Deposit date: | 2016-06-01 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting. Nucleic Acids Res., 44, 2016
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3VSL
| Crystal structure of penicillin-binding protein 3 (PBP3) from methicilin-resistant Staphylococcus aureus in the cefotaxime bound form. | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | Authors: | Yoshida, H, Tame, J.R, Park, S.Y. | Deposit date: | 2012-04-25 | Release date: | 2012-10-31 | Last modified: | 2017-03-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Penicillin-Binding Protein 3 (PBP3) from Methicillin-Resistant Staphylococcus aureus in the Apo and Cefotaxime-Bound Forms. J.Mol.Biol., 423, 2012
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5K29
| Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) | Descriptor: | UNKNOWN ATOM OR ION, uncharacterized protein BDF5 | Authors: | Lin, Y.H, Tempel, W, Walker, J.R, Loppnau, P, Amani, M, Hou, C.F.D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2016-05-18 | Release date: | 2016-07-13 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Trypanosoma brucei bromodomain BDF5 (Tb427tmp.01.5000) To Be Published
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2SAM
| STRUCTURE OF THE PROTEASE FROM SIMIAN IMMUNODEFICIENCY VIRUS: COMPLEX WITH AN IRREVERSIBLE NON-PEPTIDE INHIBITOR | Descriptor: | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL, SIV PROTEASE | Authors: | Rose, R.B, Rose, J.R, Salto, R, Craik, C.S, Stroud, R.M. | Deposit date: | 1994-07-08 | Release date: | 1994-10-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the protease from simian immunodeficiency virus: complex with an irreversible nonpeptide inhibitor. Biochemistry, 32, 1993
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6ML7
| ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC Modification) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM)P*GP*AP*AP*TP*T)-3'), ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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2RN7
| NMR solution structure of TnpE protein from Shigella flexneri. Northeast Structural Genomics Target SfR125 | Descriptor: | IS629 orfA | Authors: | Ramelot, T.A, Cort, J.R, Semesi, A, Garcia, M, Yee, A.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-12-08 | Release date: | 2008-01-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR solution structure of TnpE protein from Shigella flexneri. Northeast
Structural Genomics Target SfR125 To be Published
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3WDT
| The apo-form structure of PtLic16A from Paecilomyces thermophila | Descriptor: | Beta-1,3-1,4-glucanase, SULFATE ION | Authors: | Cheng, Y.S, Huang, C.H, Chen, C.C, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T. | Deposit date: | 2013-06-25 | Release date: | 2014-07-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural and mutagenetic analyses of a 1,3-1,4-beta-glucanase from Paecilomyces thermophila Biochim.Biophys.Acta, 1844, 2014
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3W88
| Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-200 | Descriptor: | 1,2-ETHANEDIOL, 5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, CACODYLATE ION, ... | Authors: | Inaoka, D.K, Hashimoto, S, Rocha, J.R, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Kuranaga, T, Shiba, T, Balogun, E.O, Sakamoto, K, Suzuki, S, Montanari, C.A, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | Deposit date: | 2013-03-12 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-200 To be Published
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3WH9
| The ligand-free structure of ManBK from Aspergillus niger BK01 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Huang, J.W, Chen, C.C, Huang, C.H, Huang, T.Y, Wu, T.H, Cheng, Y.S, Ko, T.P, Lin, C.Y, Liu, J.R, Guo, R.T. | Deposit date: | 2013-08-22 | Release date: | 2014-10-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural Analysis and Rational Design to Improve Specific Activity of beta-Mannanase from Aspergillus Niger BK01 To be Published
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6MJS
| Azurin 122W/124W/126Re | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | Authors: | Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D. | Deposit date: | 2018-09-21 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein. ACS Cent Sci, 5, 2019
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6ML3
| ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 2) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*CP*TP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ... | Authors: | Horton, J.R, Cheng, X, Ren, R. | Deposit date: | 2018-09-26 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.683 Å) | Cite: | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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6N93
| Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-oxa(dethia)-CoA | Descriptor: | (2E)-2-(hydroxyimino)propanoic acid, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | Authors: | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | Deposit date: | 2018-11-30 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141, 2019
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5KE3
| Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a | Descriptor: | (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-09 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a to be published
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5K6C
| Crystal structure of prefusion-stabilized RSV F single-chain 9-10 DS-Cav1 variant. | Descriptor: | Fusion glycoprotein F0,Fusion glycoprotein F0, SULFATE ION | Authors: | Joyce, M.G, Zhang, B, Lai, Y.T, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-05-24 | Release date: | 2016-10-12 | Last modified: | 2016-10-19 | Method: | X-RAY DIFFRACTION (3.576 Å) | Cite: | Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV. Nat.Struct.Mol.Biol., 23, 2016
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1LY4
| Analysis of quinazoline and PYRIDO[2,3D]PYRIMIDINE N9-C10 reversed bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase | Descriptor: | 2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A. | Deposit date: | 2002-06-06 | Release date: | 2002-08-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase. Acta Crystallogr.,Sect.D, 58, 2002
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6MS8
| Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin | Descriptor: | Chalcone-flavonone isomerase family protein, NARINGENIN | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | Deposit date: | 2018-10-16 | Release date: | 2019-08-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
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2UU8
| X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A) | Descriptor: | CALCIUM ION, CONCANAVALIN, NICKEL (II) ION | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | Deposit date: | 2007-03-01 | Release date: | 2007-07-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.94 Å) | Cite: | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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3UIP
| Complex between human RanGAP1-SUMO1, UBC9 and the IR1 domain from RanBP2 containing IR2 Motif II | Descriptor: | E3 SUMO-protein ligase RanBP2, Ran GTPase-activating protein 1, SUMO-conjugating enzyme UBC9, ... | Authors: | Gareau, J.R, Reverter, D, Lima, C.D. | Deposit date: | 2011-11-05 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Determinants of small ubiquitin-like modifier 1 (SUMO1) protein specificity, E3 ligase, and SUMO-RanGAP1 binding activities of nucleoporin RanBP2. J.Biol.Chem., 287, 2012
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3UWO
| Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation | Descriptor: | 3-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)benzamide, Thymidylate kinase | Authors: | Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R. | Deposit date: | 2011-12-02 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation. J.Med.Chem., 55, 2012
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5J3U
| Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, Protein Kinase A | Authors: | El Bakkouri, M, Walker, J.R, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, L, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-31 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP To Be Published
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5J7D
| Computationally Designed Thioredoxin dF106 | Descriptor: | COPPER (II) ION, Designed Thioredoxin dF106 | Authors: | Horowitz, S, Johansen, N, Olsen, J.G, Winther, J.R. | Deposit date: | 2016-04-06 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational Redesign of Thioredoxin Is Hypersensitive toward Minor Conformational Changes in the Backbone Template. J.Mol.Biol., 428, 2016
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6N94
| Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA | Descriptor: | DI(HYDROXYETHYL)ETHER, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | Authors: | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | Deposit date: | 2018-11-30 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141, 2019
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5IUT
| STRUCTURE OF P450 2B4 F202W MUTANT | Descriptor: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jang, H.-H, Halpert, J.R, Shah, M.B. | Deposit date: | 2016-03-18 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
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2VH0
| Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2007-11-16 | Release date: | 2008-11-25 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs. Bioorg. Med. Chem. Lett., 18, 2008
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