5TS0
 
 | | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2208 | | Descriptor: | (2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name), Proteasome subunit alpha, Proteasome subunit beta | | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | | Deposit date: | 2016-10-27 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.84679747 Å) | | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
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5TRS
 | | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2144 | | Descriptor: | N-tert-butoxy-N~2~-(5-methyl-1,2-oxazole-3-carbonyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta | | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | | Deposit date: | 2016-10-27 | | Release date: | 2017-01-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.083567 Å) | | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
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5G0C
 | | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | | Descriptor: | CARBONIC ANHYDRASE 2, ETHANOL, SODIUM ION, ... | | Authors: | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | | Deposit date: | 2016-03-17 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
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3K4G
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6VIY
 | | BRD2_Bromodomain2 complex with pyrrolopyridone compound 27 | | Descriptor: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2 | | Authors: | Longenecker, K.L, Park, C.H, Qiu, W. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
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7JYA
 | | Crystal structure of E3 ligase in complex with peptide | | Descriptor: | ASN-ARG-ARG-ARG-ARG-TRP-ARG-GLU-ARG-GLN-ARG, Protein fem-1 homolog C, UNKNOWN ATOM OR ION | | Authors: | Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-08-30 | | Release date: | 2020-10-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron.
Nat.Chem.Biol., 17, 2021
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3J82
 | | Electron cryo-microscopy of DNGR-1 in complex with F-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Hanc, P, Fujii, T, Yamada, Y, Huotari, J, Schulz, O, Ahrens, S, Kjaer, S, Way, M, Namba, K, Reis e Sousa, C. | | Deposit date: | 2014-09-25 | | Release date: | 2015-05-20 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Structure of the Complex of F-Actin and DNGR-1, a C-Type Lectin Receptor Involved in Dendritic Cell Cross-Presentation of Dead Cell-Associated Antigens.
Immunity, 42, 2015
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5GSK
 | | Crystal structure of duplex DNA3 in complex with Hg(II) and Sr(II) | | Descriptor: | DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), MERCURY (II) ION, STRONTIUM ION | | Authors: | Liu, H.H, Wang, R, Yao, Q.Q, Cheng, Y.Q, Yang, C, Luo, Q, Wu, B.X, Li, J.X, Ma, J.B, Sheng, J, Gan, J.H. | | Deposit date: | 2016-08-16 | | Release date: | 2017-02-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
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5TRY
 | | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2206 | | Descriptor: | (2~{S})-~{N}-[(2~{S})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide, Proteasome subunit alpha, Proteasome subunit beta | | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | | Deposit date: | 2016-10-27 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.000008 Å) | | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
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1C4L
 | | SOLUTION STRUCTURE OF AN RNA DUPLEX INCLUDING A C-U BASE-PAIR | | Descriptor: | RNA (5'-R(*CP*CP*UP*GP*CP*GP*UP*CP*G)-3'), RNA (5'-R(*CP*GP*AP*CP*UP*CP*AP*GP*G)-3') | | Authors: | Tanaka, Y, Kojima, C, Yamazaki, T, Kodama, T.S, Yasuno, K, Miyashita, S, Ono, A.M, Ono, A.S, Kainosho, M, Kyogoku, Y. | | Deposit date: | 1999-08-30 | | Release date: | 2000-08-09 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an RNA duplex including a C-U base pair.
Biochemistry, 39, 2000
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6SPT
 | | High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei in complex with the fist compound with sub-micromolar trypanocidal activity | | Descriptor: | 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Napolitano, V, Dawidowski, M, Kalel, V.C, Fino, R, Emmanouilidis, L, Lenhart, D, Ostertag, M, Kaiser, M, Kolonko, M, Schilebs, W, Maser, P, Tetko, I, Hadian, K, Plettenburg, O, Erdmann, R, Sattler, M, Popowicz, G.M, Dubin, G. | | Deposit date: | 2019-09-02 | | Release date: | 2020-01-01 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity.
J.Med.Chem., 63, 2020
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1ANA
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3KVS
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6CXI
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6CXJ
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1CMX
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1ALC
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7JNT
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6AO3
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7UJ6
 | | Outer Surface Protein C Type K | | Descriptor: | Outer surface protein C | | Authors: | Rudolph, M.J, Mantis, N. | | Deposit date: | 2022-03-30 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Structural Elucidation of a Protective B Cell Epitope on Outer Surface Protein C (OspC) of the Lyme Disease Spirochete, Borreliella burgdorferi.
Mbio, 14, 2023
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3ZQC
 | | Structure of the Trichomonas vaginalis Myb3 DNA-binding domain bound to a promoter sequence reveals a unique C-terminal beta-hairpin conformation | | Descriptor: | MRE-1, MYB3 | | Authors: | Wei, S.-Y, Lou, Y.-C, Tsai, J.-Y, Hsu, H.-M, Tai, J.-H, Hsiao, C.-D, Chen, C. | | Deposit date: | 2011-06-09 | | Release date: | 2012-04-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the Trichomonas Vaginalis Myb3 DNA-Binding Domain Bound to a Promoter Sequence Reveals a Unique C-Terminal Beta-Hairpin Conformation.
Nucleic Acids Res., 40, 2012
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6FM7
 | | Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes in complex with avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Pozzi, C, De Luca, F, Benvenuti, M, Di Pisa, F, Docquier, J.D, Mangani, S. | | Deposit date: | 2018-01-30 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Atomic-Resolution Structure of a Class C beta-Lactamase and Its Complex with Avibactam.
ChemMedChem, 13, 2018
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6GD7
 | | Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG | | Descriptor: | Cytochrome c iso-1, GLYCEROL, HEME C, ... | | Authors: | Rennie, M.L, Fox, G.C, Crowley, P.B. | | Deposit date: | 2018-04-23 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Auto-regulated Protein Assembly on a Supramolecular Scaffold.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6BQJ
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3KNX
 | | HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor | | Descriptor: | (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ... | | Authors: | Venkatraman, S, Velazquez, F, Wu, W, Blackman, M, Chen, K.X, Bogen, S, Nair, L, Tong, X, Chase, R, Hart, A, Agrawal, S, Pichardo, J, Prongay, A, Cheng, K.-C, Girijavallabhan, V, Piwinski, J, Shih, N.-Y, Njoroge, F.G. | | Deposit date: | 2009-11-12 | | Release date: | 2010-10-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009
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