3IHE
 
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5UI1
 | | Crystal Structure of Human Protein Phosphatase 5C (PP5C) in complex with a triazole inhibitor | | Descriptor: | 5-phenyl-1H-1,2,3-triazole-4-carboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | | Authors: | Chattopadhyay, D, Swingle, M.R, Salter, E.A, Banerjee, S, Honkanen, R.E. | | Deposit date: | 2017-01-12 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structure Human PP5C in Complex with an Inhibitor
To Be Published
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7KW6
 | | Crystal structure of the BlCel48B from Bacillus licheniformis | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Exoglucanase-2, ... | | Authors: | Araujo, E.A, Polikarpov, I. | | Deposit date: | 2020-11-30 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Impact of cellulose properties on enzymatic degradation by bacterial GH48 enzymes: Structural and mechanistic insights from processive Bacillus licheniformis Cel48B cellulase.
Carbohydr Polym, 264, 2021
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6D9Q
 | | The sulfate-bound crystal structure of HPRT (hypoxanthine phosphoribosyltransferase) | | Descriptor: | GLYCEROL, Hypoxanthine phosphoribosyltransferase, SULFATE ION | | Authors: | Satyshur, K.A, Dubiel, K, Anderson, B, Wolak, C, Keck, J.L. | | Deposit date: | 2018-04-30 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.056 Å) | | Cite: | Evolution of (p)ppGpp-HPRT regulation through diversification of an allosteric oligomeric interaction.
Elife, 8, 2019
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3PRA
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6VP4
 | | Ethylene forming enzyme (EFE) in complex with Fe(II), L-arginine, and 2OG | | Descriptor: | 2-OXOGLUTARIC ACID, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ... | | Authors: | Davis, K.M, Copeland, R.A, Boal, A.K. | | Deposit date: | 2020-02-01 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | An Iron(IV)-Oxo Intermediate Initiating l-Arginine Oxidation but Not Ethylene Production by the 2-Oxoglutarate-Dependent Oxygenase, Ethylene-Forming Enzyme.
J.Am.Chem.Soc., 143, 2021
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4YSX
 | | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with the specific inhibitor NN23 | | Descriptor: | Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | | Authors: | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | | Deposit date: | 2015-03-17 | | Release date: | 2015-08-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
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4YVY
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3IVP
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7L7B
 | | Clostridioides difficile RNAP with fidaxomicin | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Boyaci, H, Campbell, E.A, Darst, S.A, Chen, J. | | Deposit date: | 2020-12-28 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Basis of narrow-spectrum activity of fidaxomicin on Clostridioides difficile.
Nature, 604, 2022
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2VED
 | | crystal structure of the chimerical mutant CapABK55M protein | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MEMBRANE PROTEIN CAPA1, ... | | Authors: | Olivares-Illana, V, Meyer, P, Gueguen-Chaignon, V, Soulat, D, Deustcher, J, Cozzone, A.J, Morera, S, Grangeasse, C, Nessler, S. | | Deposit date: | 2007-10-19 | | Release date: | 2008-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for the Regulation Mechanism of the Tyrosine Kinase Capb from Staphylococcus Aureus.
Plos Biol., 6, 2008
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4MQ0
 | | Crystal structure of Parkia biglobosa seed lectin (PBL) in complex with methyl alpha D-mannopyranoside | | Descriptor: | Parkia biglobosa lectin (PBL), methyl alpha-D-mannopyranoside | | Authors: | Teixeira, C.S, Rocha, B.A.M, Silva, H.C, Bari, A.U, Barroso-Neto, I.L, Santiago, M.Q, Nagano, C.S, Nascimento, K.S, Debray, H, Delatorre, P, Cavada, B.S. | | Deposit date: | 2013-09-14 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystal structure of Parkia biglobosa seed lectin (PBL) in complex with methyl alpha D-mannopyranoside
To be Published
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4YW8
 | | Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid | | Descriptor: | 1,2-ETHANEDIOL, 3-sulfanylpyridine-2-carboxylic acid, MANGANESE (II) ION, ... | | Authors: | Balan, M.D, Johnson, T.A, Mcleod, M.J, Lotosky, W.R, Holyoak, T. | | Deposit date: | 2015-03-20 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid.
Biochemistry, 54, 2015
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5HM8
 | | 2.85 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenosine and NAD. | | Descriptor: | ADENOSINE, Adenosylhomocysteinase, CHLORIDE ION, ... | | Authors: | Minasov, G, Shuvalova, L, Halavaty, A, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-01-15 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 2.85 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenosine and NAD.
To Be Published
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3QN8
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor | | Descriptor: | (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease | | Authors: | Lindemann, I, Heine, A, Klebe, G. | | Deposit date: | 2011-02-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.382 Å) | | Cite: | Novel inhibitors for HIV-1 protease
To be Published
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5A52
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1AFJ
 | | STRUCTURE OF THE MERCURY-BOUND FORM OF MERP, THE PERIPLASMIC PROTEIN FROM THE BACTERIAL MERCURY DETOXIFICATION SYSTEM, NMR, 20 STRUCTURES | | Descriptor: | MERCURY (II) ION, MERP | | Authors: | Steele, R.A, Opella, S.J. | | Deposit date: | 1997-03-07 | | Release date: | 1997-07-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structures of the reduced and mercury-bound forms of MerP, the periplasmic protein from the bacterial mercury detoxification system.
Biochemistry, 36, 1997
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6W3S
 | | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with L-leucine | | Descriptor: | GLYCEROL, LEUCINE, Methyl-accepting chemotaxis protein, ... | | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
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4ZVT
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6DDL
 | | Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the basal state | | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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5TVI
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6IYH
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6VYN
 | | N-terminal domain of mouse surfactant protein B with bound lipid, wild type | | Descriptor: | (7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate, Pulmonary surfactant-associated protein B | | Authors: | Rapoport, T.A, Bodnar, N.O. | | Deposit date: | 2020-02-27 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Lamellar Body Formation by Lung Surfactant Protein B.
Mol.Cell, 81, 2021
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3IY4
 | | Variable domains of the computer generated model (WAM) of Fab 15 fitted into the cryoEM reconstruction of the virus-Fab 15 complex | | Descriptor: | fragment of neutralizing antibody 15 (heavy chain), fragment of neutralizing antibody 15 (light chain) | | Authors: | Hafenstein, S, Bowman, V.D, Sun, T, Nelson, C.D, Palermo, L.M, Chipman, P.R, Battisti, A.J, Parrish, C.R, Rossmann, M.G. | | Deposit date: | 2009-04-09 | | Release date: | 2009-05-12 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (11.7 Å) | | Cite: | Structural comparison of different antibodies interacting with parvovirus capsids
J.Virol., 83, 2009
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6NJS
 | | Stat3 Core in complex with compound SD36 | | Descriptor: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2019-01-04 | | Release date: | 2019-12-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
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