3KD5
 
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6GJS
 | | Human NBD1 of CFTR in complex with nanobodies D12 and T4 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, ... | | Authors: | Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C. | | Deposit date: | 2018-05-16 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Domain-interface dynamics of CFTR revealed by stabilizing nanobodies.
Nat Commun, 10, 2019
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4AQY
 | | Structure of ribosome-apramycin complexes | | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | | Authors: | Matt, T, Ng, C.L, Lang, K, Sha, S.H, Akbergenov, R, Shcherbakov, D, Meyer, M, Duscha, S, Xie, J, Dubbaka, S.R, Perez-Fernandez, D, Vasella, A, Ramakrishnan, V, Schacht, J, Bottger, E.C. | | Deposit date: | 2012-04-20 | | Release date: | 2012-07-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Dissociation of Antibacterial Activity and Aminoglycoside Ototoxicity in the 4-Monosubstituted 2-Deoxystreptamine Apramycin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6GS1
 | | Crystal structure of peptide transporter DtpA-nanobody in MES buffer | | Descriptor: | Dipeptide and tripeptide permease A, Nanobody 00 | | Authors: | Ural-Blimke, Y, Flayhan, A, Loew, C, Quistgaard, E.M. | | Deposit date: | 2018-06-13 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Structure of Prototypic Peptide Transporter DtpA from E. coli in Complex with Valganciclovir Provides Insights into Drug Binding of Human PepT1.
J. Am. Chem. Soc., 141, 2019
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2POR
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3KDC
 | | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10074 | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M. | | Deposit date: | 2009-10-22 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | How much binding affinity can be gained by filling a cavity?
Chem.Biol.Drug Des., 75, 2010
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1GRF
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6D71
 | | Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1 | | Authors: | Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M. | | Deposit date: | 2018-04-23 | | Release date: | 2019-10-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7180779 Å) | | Cite: | Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase.
J.Struct.Biol., 212, 2020
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1AY6
 | | THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF | | Descriptor: | HIRUGEN, THROMBIN HEAVY CHAIN, THROMBIN LIGHT CHAIN, ... | | Authors: | Ganesh, V, Maryanoff, B.E, Tulinsky, A. | | Deposit date: | 1997-11-14 | | Release date: | 1998-03-18 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif
Bioorg.Med.Chem.Lett., 6, 1996
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7UUW
 | | Cryogenic electron microscopy 3D map of F-actin bound by the Actin Binding Domain of alpha-catenin ortholog, HMP1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Rangarajan, E.S, Smith, E.W, Izard, T. | | Deposit date: | 2022-04-29 | | Release date: | 2023-01-18 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | The nematode alpha-catenin ortholog, HMP1, has an extended alpha-helix when bound to actin filaments.
J.Biol.Chem., 299, 2022
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7FGN
 | | The crystal structure of the FAF1 UBL1 | | Descriptor: | FAS-associated factor 1 | | Authors: | Kim, E.E, ParK, J.K, Shin, S.C. | | Deposit date: | 2021-07-27 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.199 Å) | | Cite: | The complex of Fas-associated factor 1 with Hsp70 stabilizes the adherens junction integrity by suppressing RhoA activation
J Mol Cell Biol, 14, 2022
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2ANH
 | | ALKALINE PHOSPHATASE (D153H) | | Descriptor: | ALKALINE PHOSPHATASE, PHOSPHATE ION, ZINC ION | | Authors: | Murphy, J.E, Tibbitts, T.T, Kantrowitz, E.R. | | Deposit date: | 1995-09-06 | | Release date: | 1996-01-29 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mutations at positions 153 and 328 in Escherichia coli alkaline phosphatase provide insight towards the structure and function of mammalian and yeast alkaline phosphatases.
J.Mol.Biol., 253, 1995
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6DHP
 | | RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2018-05-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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5ZMA
 | | Structural basis for an allosteric Eya2 phosphatase inhibitor | | Descriptor: | 3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide, Eyes absent homolog 2 | | Authors: | Anantharajan, J, Jansson, A.E, Kang, C. | | Deposit date: | 2018-04-02 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.175 Å) | | Cite: | Structural and Functional Analyses of an Allosteric EYA2 Phosphatase Inhibitor That Has On-Target Effects in Human Lung Cancer Cells.
Mol.Cancer Ther., 18, 2019
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1CXP
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2ATL
 | | Unmodified Insertion Ternary Complex | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*T*AP*AP*CP*GP*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*(DDG))-3', ... | | Authors: | Rechkoblit, O, Malinina, L, Cheng, Y, Kuryavyi, V, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 2005-08-25 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Stepwise Translocation of Dpo4 Polymerase during Error-Free Bypass of an oxoG Lesion
Plos Biol., 4, 2006
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2WP9
 | | Crystal structure of the E. coli succinate:quinone oxidoreductase (SQR) SdhB His207Thr mutant | | Descriptor: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | | Deposit date: | 2009-08-03 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Perturbation of the quinone-binding site of complex II alters the electronic properties of the proximal [3Fe-4S] iron-sulfur cluster.
J. Biol. Chem., 286, 2011
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2A4G
 | | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | | Authors: | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | | Deposit date: | 2005-06-28 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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6DU0
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5HNM
 | | Crystal structure of vancomycin resistance D,D-pentapeptidase VanY E175A mutant from VanB-type resistance cassette in complex with Zn(II) | | Descriptor: | D-alanyl-D-alanine carboxypeptidase, SULFATE ION, ZINC ION | | Authors: | Stogios, P.J, Chun, J, Wawrzak, Z, Evdokimova, E, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-18 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | To be published
To Be Published
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5HRX
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | | Descriptor: | 1,2-ETHANEDIOL, 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | | Deposit date: | 2016-01-24 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
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2AAI
 | | Crystallographic refinement of ricin to 2.5 Angstroms | | Descriptor: | RICIN (A CHAIN), RICIN (B CHAIN), alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rutenber, E, Katzin, B.J, Montfort, W, Villafranca, J.E, Ernst, S.R, Collins, E.J, Mlsna, D, Monzingo, A.F, Ready, M.P, Robertus, J.D. | | Deposit date: | 1993-09-07 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic refinement of ricin to 2.5 A.
Proteins, 10, 1991
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1CGN
 | | CYTOCHROME C' | | Descriptor: | CYTOCHROME C, HEME C | | Authors: | Dobbs, A.J, Faber, H.R, Anderson, B.F, Baker, E.N. | | Deposit date: | 1995-05-01 | | Release date: | 1995-07-31 | | Last modified: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Three-dimensional structure of cytochrome c' from two Alcaligenes species and the implications for four-helix bundle structures.
Acta Crystallogr.,Sect.D, 52, 1996
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3HK3
 | | Crystal structure of murine thrombin mutant W215A/E217A (one molecule in the asymmetric unit) | | Descriptor: | Thrombin heavy chain, Thrombin light chain | | Authors: | Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. | | Deposit date: | 2009-05-22 | | Release date: | 2009-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A.
J.Biol.Chem., 284, 2009
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3HK6
 | | Crystal structure of murine thrombin mutant W215A/E217A (two molecules in the asymmetric unit) | | Descriptor: | Thrombin heavy chain, Thrombin light chain | | Authors: | Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. | | Deposit date: | 2009-05-22 | | Release date: | 2009-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A.
J.Biol.Chem., 284, 2009
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