3V0X
 
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2011-12-09 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bovine trypsin variants X(tripleGlu217Phe227) in complexes with small molecule inhibitor
To be Published
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5NTD
 | | Structure of Leucyl aminopeptidase from Trypanosoma brucei in complex with Bestatin | | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BICARBONATE ION, ... | | Authors: | Timm, J, Wilson, K. | | Deposit date: | 2017-04-27 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation inTrypanosoma brucei.
mSphere, 2, 2018
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1NFK
 | | STRUCTURE OF THE NUCLEAR FACTOR KAPPA-B (NF-KB) P50 HOMODIMER | | Descriptor: | DNA (5'-D(*TP*GP*GP*GP*AP*AP*TP*TP*CP*CP*C)-3'), PROTEIN (NUCLEAR FACTOR KAPPA-B (NF-KB)) | | Authors: | Ghosh, G, Van Duyne, G, Ghosh, S, Sigler, P.B. | | Deposit date: | 1995-02-28 | | Release date: | 1996-12-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of NF-kappa B p50 homodimer bound to a kappa B site.
Nature, 373, 1995
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3V12
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | Deposit date: | 2011-12-09 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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5AGX
 | | Bcl-2 alpha beta-1 LINEAR complex | | Descriptor: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11 | | Authors: | Smith, B.J, F Lee, E, Checco, J.W, Gellman, S.H, Fairlie, W.D. | | Deposit date: | 2015-02-04 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Alpha Beta Peptide Foldamers Targeting Intracellular Protein-Protein Interactions with Activity on Living Cells
J.Am.Chem.Soc., 137, 2015
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5AEC
 | | Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane monooxygenase from CAM plasmid of Pseudomonas putida in complex with FMN. | | Descriptor: | 3,6-DIKETOCAMPHANE 1,6 MONOOXYGENASE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Isupov, M.N, Schroeder, E, Gibson, R.P, Beecher, J, Donadio, G, Saneei, V, Dcunha, S, McGhie, E.J, Sayer, C, Davenport, C.F, Lau, P.C, Hasegawa, Y, Iwaki, H, Kadow, M, Loschinski, K, Bornscheuer, U.T, Bourenkov, G, Littlechild, J.A. | | Deposit date: | 2015-08-28 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The Oxygenating Constituent of 3,6-Diketocamphane Monooxygenase from the Cam Plasmid of Pseudomonas Putida: The First Crystal Structure of a Type II Baeyer-Villiger Monooxygenase.
Acta Crystallogr.,Sect.D, 71, 2015
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8QXS
 | | CryoEM structure of a GroEL14-GroES7 complex in presence of ADP-BeFx with wide GroEL7 trans ring conformation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chaperonin GroEL, ... | | Authors: | Wagner, J, Caravajal, A.I, Beck, F, Bracher, A, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U. | | Deposit date: | 2023-10-25 | | Release date: | 2024-07-03 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Visualizing chaperonin function in situ by cryo-electron tomography.
Nature, 633, 2024
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4OLX
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3V2K
 | | Crystal structure of ribosome inactivating protein from momordica balsamina complexed with the product of RNA substrate adenosine triphosphate at 2.0 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, GLYCEROL, ... | | Authors: | Kushwaha, G.S, Pandey, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-12-12 | | Release date: | 2012-01-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structures of a type-1 ribosome inactivating protein from Momordica balsamina in the bound and unbound states.
Biochim.Biophys.Acta, 1824, 2012
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5A15
 | | Crystal structure of the BTB domain of human KCTD16 | | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD16 | | Authors: | Pinkas, D.M, Sanvitale, C.E, Solcan, N, Goubin, S, Canning, P, Dixon Clarke, S.E, Talon, R, Wiggers, H.J, Fitzpatrick, F, Tallant, C, Kopec, J, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2015-04-28 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
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5A8I
 | | Crystal structure of the FHA domain of ArnA from Sulfolobus acidocaldarius | | Descriptor: | ARNA, GLYCEROL, SULFATE ION | | Authors: | Hoffmann, L, Anders, K, Reimann, J, Linne, U, Essen, L.-O, Albers, S.-V. | | Deposit date: | 2015-07-16 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Phosphorylation-Dependent Interaction between an Archaeal Von Willebrand and Fha Domain Recruits Arna-Arnb Complex to DNA for Repression of Motility
To be Published
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2XVF
 | | Crystal structure of bacterial flavin-containing monooxygenase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVIN-CONTAINING MONOOXYGENASE, GLYCEROL, ... | | Authors: | Cho, H.J, Kang, B.S. | | Deposit date: | 2010-10-26 | | Release date: | 2011-05-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Functional Analysis of Bacterial Flavin-Containing Monooxygenase Reveals its Ping-Pong-Type Reaction Mechanism.
J.Struct.Biol., 175, 2011
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8QZV
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8Q5N
 | | Apo form of restriction endonuclease NhoI. | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Restriction endonuclease (NhoI) | | Authors: | Rafalski, D, Krakowska, A, Bochtler, M. | | Deposit date: | 2023-08-09 | | Release date: | 2024-07-17 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural analysis of the BisI family of modification dependent restriction endonucleases.
Nucleic Acids Res., 52, 2024
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5O4K
 | | Crystal structure of P450 CYP121 in complex with compound 6b. | | Descriptor: | 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Levy, C.W. | | Deposit date: | 2017-05-29 | | Release date: | 2018-03-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
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5O4Y
 | | Structure of human PD-L1 in complex with inhibitor | | Descriptor: | PHE-MAA-ASN-PRO-HIS-LEU-SER-TRP-SER-TRP-9KK-9KK-ARG-CCS-GLY-NH2, Programmed cell death 1 ligand 1 | | Authors: | Magiera, K, Grudnik, P, Dubin, G, Holak, T.A. | | Deposit date: | 2017-05-31 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint.
Angew. Chem. Int. Ed. Engl., 56, 2017
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2Y9K
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5O8I
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3UTU
 | | High affinity inhibitor of human thrombin | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... | | Authors: | Baum, B, Steinmetzer, T, Heine, A, Klebe, G. | | Deposit date: | 2011-11-26 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling
Chemmedchem, 7, 2012
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3V4I
 | | Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and AZTTP | | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... | | Authors: | Das, K, Martinez, S.E, Arnold, E. | | Deposit date: | 2011-12-15 | | Release date: | 2012-01-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7983 Å) | | Cite: | HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
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5A2G
 | | An esterase from anaerobic Clostridium hathewayi can hydrolyze aliphatic aromatic polyesters | | Descriptor: | CARBOXYLIC ESTER HYDROLASE, PHOSPHATE ION | | Authors: | Hromic, A, Pavkov Keller, T, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Zankel, A, Mayrhofer, C, Sinkel, C, Kueper, U, Schlegel, K.A, Ribitsch, D, Guebitz, G.M. | | Deposit date: | 2015-05-19 | | Release date: | 2016-02-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | An Esterase from Anaerobic Clostridium Hathewayi Can Hydrolyze Aliphatic-Aromatic Polyesters.
Environ.Sci.Tech., 50, 2016
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8QZW
 | | Crystal structure of deoxyhypusine synthase from Trichomonas vaginalis | | Descriptor: | Deoxyhypusine synthase related protein, putative, GLYCEROL, ... | | Authors: | Wator, E, Wilk, P, Grudnik, P. | | Deposit date: | 2023-10-30 | | Release date: | 2024-07-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural characterization of the (deoxy)hypusination in Trichomonas vaginalis questions the bifunctionality of deoxyhypusine synthase.
Febs J., 291, 2024
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8QXT
 | | CryoEM structure of a GroEL14-GroES7 complex in presence of ADP-BeFx with narrow GroEL7 trans ring conformation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chaperonin GroEL, ... | | Authors: | Wagner, J, Caravajal, A.I, Beck, F, Bracher, A, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U. | | Deposit date: | 2023-10-25 | | Release date: | 2024-07-03 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Visualizing chaperonin function in situ by cryo-electron tomography.
Nature, 633, 2024
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5O98
 | | Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+ | | Descriptor: | Alcohol dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Stavrinides, A.K, Tatsis, E.C, Dang, T.T, Caputi, L, Stevenson, C.E.M, Lawson, D.M, Schneider, B, O'Connor, S.E. | | Deposit date: | 2017-06-16 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of a Short-Chain Dehydrogenase from Catharanthus roseus that Produces a New Monoterpene Indole Alkaloid.
Chembiochem, 19, 2018
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5A8R
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