1BSJ
 
 | | COBALT DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI | | Descriptor: | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, COBALT (II) ION, PHOSPHATE ION, ... | | Authors: | Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K. | | Deposit date: | 1998-08-28 | | Release date: | 2000-04-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the design of antibiotics targeting peptide deformylase.
Biochemistry, 38, 1999
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3IHY
 | | Human PIK3C3 crystal structure | | Descriptor: | Phosphatidylinositol 3-kinase catalytic subunit type 3 | | Authors: | Siponen, M.I, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Moche, M, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-07-31 | | Release date: | 2009-10-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Human PIK3C3 crystal structure
TO BE PUBLISHED
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3IEP
 | | Firefly luciferase apo structure (P41 form) | | Descriptor: | Luciferin 4-monooxygenase | | Authors: | Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J. | | Deposit date: | 2009-07-23 | | Release date: | 2010-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5MTR
 | | Crystal structure of M. tuberculosis InhA inhibited by PT512 | | Descriptor: | 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | Deposit date: | 2017-01-10 | | Release date: | 2017-02-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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6B38
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6B3G
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5J1U
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(furan-3-ylmethyl)pyrrolidine-1-carboxamide at 1.80A resolution | | Descriptor: | EthR, N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide | | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2016-03-29 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
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6HC3
 | | TFAM bound to Site-X | | Descriptor: | DNA (5'-D(*TP*TP*TP*GP*GP*TP*GP*GP*AP*AP*AP*TP*TP*TP*TP*TP*TP*GP*TP*TP*AP*G)-3'), DNA/RNA (5'-D(*TP*AP*AP*CP*AP*AP*AP*AP*AP*AP*TP*TP*TP*CP*CP*AP*CP*CP*AP*AP*AP*C)-3'), L(+)-TARTARIC ACID, ... | | Authors: | Fernandez-Millan, P, Cuppari, A, Tarres-Sole, A, Rubio-Cosials, A, Lyonnais, S, Sola, M. | | Deposit date: | 2018-08-13 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | DNA specificities modulate the binding of human transcription factor A to mitochondrial DNA control region.
Nucleic Acids Res., 47, 2019
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6VEM
 | | Structure of RNA octamer | | Descriptor: | COBALT HEXAMMINE(III), Modified Octamer RNA | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2020-01-02 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Synthesis, chirality-dependent conformational and biological properties of siRNAs containing 5'-(R)- and 5'-(S)-C-methyl-guanosine.
Nucleic Acids Res., 48, 2020
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8A0D
 | | Crystal structure of the major guinea pig allergen Cav p 1.0101 part of the lipocalin family | | Descriptor: | Allergen lipocalin Cav p 1 isoform 1 | | Authors: | Herman, R, Charlier, P, Janssen-Weets, B, Hilger, C, Swiontek, K. | | Deposit date: | 2022-05-27 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.685 Å) | | Cite: | Mammalian derived lipocalin and secretoglobin respiratory allergens strongly bind ligands with potentially immune modulating properties.
Front Allergy, 3, 2022
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1JRR
 | | HUMAN PLASMINOGEN ACTIVATOR INHIBITOR-2.[LOOP (66-98) DELETIONMUTANT] COMPLEXED WITH PEPTIDE MIMIckING THE REACTIVE CENTER LOOP | | Descriptor: | BETA-MERCAPTOETHANOL, PLASMINOGEN ACTIVATOR INHIBITOR-2 | | Authors: | Jankova, L, Harrop, S.J, Saunders, D.N, Andrews, J.L, Bertram, K.C, Gould, A.R, Baker, M.S, Curmi, P.M.G. | | Deposit date: | 2001-08-15 | | Release date: | 2001-09-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | CRYSTAL STRUCTURE OF THE COMPLEX OF PLASMINOGEN ACTIVATOR INHIBITOR 2 WITH A PEPTIDE MIMICKING THE REACTIVE CENTER LOOP
J.Biol.Chem., 276, 2001
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5MJD
 | | metNgb under oxygen at 80 bar | | Descriptor: | Neuroglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | | Deposit date: | 2016-11-30 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
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7B5J
 | | Anti-CRISPR associated (Aca) protein, Aca2 | | Descriptor: | Anti-CRISPR associated (Aca) protein, Aca2, GLYCEROL | | Authors: | Usher, B, Birkholz, N, Fineran, P.C, Blower, T.R. | | Deposit date: | 2020-12-03 | | Release date: | 2021-06-23 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal structure of the anti-CRISPR repressor Aca2.
J.Struct.Biol., 213, 2021
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6UW3
 | | The crystal structure of FbiA from Mycobacterium Smegmatis, GDP Bound form | | Descriptor: | CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C. | | Deposit date: | 2019-11-04 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
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7AOG
 | | 14-3-3 sigma in complex with Pin1 binding site pS72 | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2020-10-14 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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6UWU
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516 | | Descriptor: | 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, Bromodomain-containing protein 4 | | Authors: | Leonard, P.G, Joseph, S. | | Deposit date: | 2019-11-05 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.
J.Med.Chem., 63, 2020
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3IS7
 | | Structure of mineralized Bfrb from Pseudomonas aeruginosa to 2.1A Resolution | | Descriptor: | Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M. | | Deposit date: | 2009-08-25 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
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1C24
 | | E. COLI METHIONINE AMINOPEPTIDASE: METHIONINE PHOSPHINATE COMPLEX | | Descriptor: | (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID, COBALT (II) ION, METHIONINE AMINOPEPTIDASE, ... | | Authors: | Lowther, W.T, Zhang, Y, Sampson, P.B, Honek, J.F, Matthews, B.W. | | Deposit date: | 1999-07-22 | | Release date: | 1999-11-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Insights into the mechanism of Escherichia coli methionine aminopeptidase from the structural analysis of reaction products and phosphorus-based transition-state analogues.
Biochemistry, 38, 1999
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5MUX
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6UTP
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with cobalt | | Descriptor: | ATP-dependent sacrificial sulfur transferase LarE, COBALT (II) ION, PHOSPHATE ION, ... | | Authors: | Fellner, M, Huizenga, K, Hausinger, R.P, Hu, J. | | Deposit date: | 2019-10-29 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Crystallographic characterization of a tri-Asp metal-binding site at the three-fold symmetry axis of LarE.
Sci Rep, 10, 2020
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1BSK
 | | ZINC DEFORMYLASE INHIBITOR COMPLEX FROM E.COLI | | Descriptor: | (S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-P-NITROANILIDE, PHOSPHATE ION, PROTEIN (PEPTIDE DEFORMYLASE), ... | | Authors: | Hao, B, Gong, W, Rajagopalan, P.T, Hu, Y, Pei, D, Chan, M.K. | | Deposit date: | 1998-08-28 | | Release date: | 2000-04-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the design of antibiotics targeting peptide deformylase.
Biochemistry, 38, 1999
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5J1Y
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 1-(pyrrolidin-1-yl)-3-(tetrahydrofuran-3-yl)propan-1-one at 1.81A resolution | | Descriptor: | 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one, EthR | | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2016-03-29 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
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6UZY
 | | Cryo-EM structure of Xenopus tropicalis pannexin 1 | | Descriptor: | HEXADECANE, Pannexin, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Deng, Z, He, Z, Yuan, P. | | Deposit date: | 2019-11-15 | | Release date: | 2020-04-01 | | Last modified: | 2020-04-22 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Cryo-EM structures of the ATP release channel pannexin 1.
Nat.Struct.Mol.Biol., 27, 2020
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5IV2
 | | Cetuximab Fab in complex with Arg9Cir meditope variant | | Descriptor: | Cetuximab Fab, heavy chain, light chain, ... | | Authors: | Bzymek, K.P, Williams, J.C. | | Deposit date: | 2016-03-18 | | Release date: | 2016-10-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.481 Å) | | Cite: | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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5MC3
 | | Crystal Structure of Glu412Lys mutant of Human Prolidase with Mn ions and GlyPro ligand | | Descriptor: | GLYCEROL, GLYCINE, HYDROXIDE ION, ... | | Authors: | Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S. | | Deposit date: | 2016-11-09 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
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