3FTR
 
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3FRR
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6S0J
 | | Structure of Zika virus NS3 helicase in complex with ADP-MgF3(H2O)- | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Genome polyprotein, MAGNESIUM ION, ... | | Authors: | Ge, M, Molt Jr, R.W, Jenkins, H.T, Blackburn, G.M, Jin, Y, Antson, A.A. | | Deposit date: | 2019-06-16 | | Release date: | 2020-07-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor.
Acs Catalysis, 11, 2021
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4L7R
 | | Human artd3 (parp3) - catalytic domain in complex with inhibitor ME0400 | | Descriptor: | N-[(2S)-1-hydroxybutan-2-yl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide, Poly [ADP-ribose] polymerase 3 | | Authors: | Karlberg, T, Thorsell, A.G, Lindgren, A.E.G, Ekblad, T, Spjut, S, Andersson, C.D, Weigelt, J, Linusson, A, Elofsson, M, Schuler, H. | | Deposit date: | 2013-06-14 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3.
J.Med.Chem., 56, 2013
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3O3G
 | | T. maritima RNase H2 in complex with nucleic acid substrate and calcium ions | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), DNA/RNA (5'-D(*GP*AP*CP*AP*C)-R(P*C)-D(P*TP*GP*AP*TP*TP*C)-3'), ... | | Authors: | Rychlik, M.P, Chon, H, Cerritelli, S.M, Klimek, P, Crouch, R.J, Nowotny, M. | | Deposit date: | 2010-07-24 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of RNase H2 in Complex with Nucleic Acid Reveal the Mechanism of RNA-DNA Junction Recognition and Cleavage.
Mol.Cell, 40, 2010
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6ROP
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3O49
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4OXN
 | | Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA | | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-05 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2926 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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2P3D
 | | Crystal Structure of the multi-drug resistant mutant subtype F HIV protease complexed with TL-3 inhibitor | | Descriptor: | Pol protein, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | | Deposit date: | 2007-03-08 | | Release date: | 2007-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
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4OZN
 | | GlnK2 from Haloferax mediterranei complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II, SULFATE ION | | Authors: | Palanca, C, Pedro-Roig, L, Llacer, J.L, Camacho, M, Bonete, M.J, Rubio, V. | | Deposit date: | 2014-02-17 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations.
Febs J., 281, 2014
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1HY3
 | | CRYSTAL STRUCTURE OF HUMAN ESTROGEN SULFOTRANSFERASE V269E MUTANT IN THE PRESENCE OF PAPS | | Descriptor: | 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, ESTROGEN SULFOTRANSFERASE | | Authors: | Pedersen, L.C, Petrochenko, E.V, Shevtsov, S, Negishi, M. | | Deposit date: | 2001-01-17 | | Release date: | 2002-06-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the human estrogen sulfotransferase-PAPS complex: evidence for catalytic role of Ser137 in the sulfuryl transfer reaction.
J.Biol.Chem., 277, 2002
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2P6O
 | | Crystal structure of TTHB049 from Thermus thermophilus HB8 | | Descriptor: | Alpha-ribazole-5'-phosphate phosphatase | | Authors: | Yamamoto, H, Taketa, M, Tanaka, Y, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-19 | | Release date: | 2007-09-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of TTHB049 from Thermus thermophilus HB8
To be Published
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6KEW
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6KFG
 | | Undocked INX-6 hemichannel in detergent | | Descriptor: | Innexin-6 | | Authors: | Burendei, B, Shinozaki, R, Watanabe, M, Terada, T, Tani, K, Fujiyoshi, Y, Oshima, A. | | Deposit date: | 2019-07-07 | | Release date: | 2020-02-12 | | Last modified: | 2020-03-11 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures of undocked innexin-6 hemichannels in phospholipids.
Sci Adv, 6, 2020
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4ZDK
 | | Crystal structure of the M. tuberculosis CTP synthase PyrG in complex with UTP, AMP-PCP and oxonorleucine | | Descriptor: | 5-OXO-L-NORLEUCINE, CTP synthase, MAGNESIUM ION, ... | | Authors: | Bellinzoni, M, Barilone, N, Alzari, P.M. | | Deposit date: | 2015-04-17 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Chem.Biol., 22, 2015
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6G89
 | | Thaumatin solved by Native SAD from a dataset collected in 0.6 second with JUNGFRAU detector | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Leonarski, F, Olieric, V, Vera, L, Redford, S, Wang, M. | | Deposit date: | 2018-04-08 | | Release date: | 2018-08-01 | | Last modified: | 2018-10-24 | | Method: | X-RAY DIFFRACTION (2.359 Å) | | Cite: | Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector.
Nat. Methods, 15, 2018
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6KG7
 | | Cryo-EM Structure of the Mammalian Tactile Channel Piezo2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Piezo-type mechanosensitive ion channel component 2 | | Authors: | Wang, L, Zhou, H, Zhang, M, Liu, W, Deng, T, Zhao, Q, Li, Y, Lei, J, Li, X, Xiao, B. | | Deposit date: | 2019-07-11 | | Release date: | 2019-09-04 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure and mechanogating of the mammalian tactile channel PIEZO2.
Nature, 573, 2019
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6S33
 | | Ligand binding domain of the P. putida receptor PcaY_PP in complex with Protocatechuate | | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor | | Authors: | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | | Deposit date: | 2019-06-24 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor.
Febs J., 288, 2021
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3FR6
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1HUX
 | | CRYSTAL STRUCTURE OF THE ACIDAMINOCOCCUS FERMENTANS (R)-2-HYDROXYGLUTARYL-COA DEHYDRATASE COMPONENT A | | Descriptor: | ACTIVATOR OF (R)-2-HYDROXYGLUTARYL-COA DEHYDRATASE, ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER | | Authors: | Locher, K.P, Hans, M, Yeh, A.P, Schmid, B, Buckel, W, Rees, D.C. | | Deposit date: | 2001-01-04 | | Release date: | 2001-03-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the Acidaminococcus fermentans 2-hydroxyglutaryl-CoA dehydratase component A.
J.Mol.Biol., 307, 2001
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1HMW
 | | ACTIVE SITE OF CHONDROITINASE AC LYASE REVEALED BY THE STRUCTURE OF ENZYME-OLIGOSACCHARIDE COMPLEXES AND MUTAGENESIS | | Descriptor: | 2-O-methyl-beta-L-fucopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-2)-[alpha-L-rhamnopyranose-(1-4)]alpha-D-mannopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... | | Authors: | Huang, W, Boju, L, Tkalec, L, Su, H, Yang, H.O, Gunay, N.S, Linhardt, R.J, Kim, Y.S, Matte, A, Cygler, M. | | Deposit date: | 2000-12-05 | | Release date: | 2001-05-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Active site of chondroitin AC lyase revealed by the structure of enzyme-oligosaccharide complexes and mutagenesis.
Biochemistry, 40, 2001
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6S43
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azocan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-06-26 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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1HNJ
 | | CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III + MALONYL-COA | | Descriptor: | BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III, MALONYL-COENZYME A, PHOSPHATE ION | | Authors: | Qiu, X, Janson, C.A, Smith, W.W, Head, M, Lonsdale, J, Konstantinidis, A.K. | | Deposit date: | 2000-12-07 | | Release date: | 2000-12-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Refined structures of beta-ketoacyl-acyl carrier protein synthase III.
J.Mol.Biol., 307, 2001
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6FM8
 | | RPAP3 c-terminus | | Descriptor: | RNA polymerase II-associated protein 3 | | Authors: | Pal, M, Roe, S.M. | | Deposit date: | 2018-01-30 | | Release date: | 2019-03-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | RPAP3 provides a flexible scaffold for coupling HSP90 to the human R2TP co-chaperone complex
Nat Commun, 2020
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6RUQ
 | | Structure of GluA2cryst in complex the antagonist ZK200775 and the negative allosteric modulator GYKI53655 at 4.65 A resolution | | Descriptor: | (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, Glutamate receptor 2, beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Krintel, C, Venskutonyte, R, Mirza, O.A, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2019-05-28 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.65 Å) | | Cite: | Binding of a negative allosteric modulator and competitive antagonist can occur simultaneously at the ionotropic glutamate receptor GluA2.
Febs J., 288, 2021
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