5ZWT
 
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6I06
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6AA3
 | | Crystal structure of MTH1 in apo form (cocktail No. 1) | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ZINC ION | | Authors: | Yokoyama, T, Kitakami, R, Mizuguchi, M. | | Deposit date: | 2018-07-17 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
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3UNJ
 | | CDK2 in complex with inhibitor YL1-038-31 | | Descriptor: | 4-{[4-(phenylamino)pyrimidin-2-yl]amino}benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | | Deposit date: | 2011-11-15 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9001 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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5ZST
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5ZWS
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5ZSZ
 | | Catechol 2,3-dioxygenase (C23O64) from Diaphorobacter sp DS2 | | Descriptor: | CALCIUM ION, Catechol 2,3-dioxygenase, Extradiol ring cleavage protein, ... | | Authors: | Mishra, K, Arya, C.K, Subramanian, R, Ramanathan, G. | | Deposit date: | 2018-04-30 | | Release date: | 2019-05-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Catechol 2,3-dioxygenase (C23O64) from Diaphorobacter sp DS2
To Be Published
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5ZSQ
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3ILZ
 | | Structure of TR-alfa bound to selective thyromimetic GC-1 in P212121 space group | | Descriptor: | Thyroid hormone receptor, alpha isoform 1 variant, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid | | Authors: | Aparicio, R, Polikarpov, L, Bleicher, L. | | Deposit date: | 2009-08-07 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of GC-1 selectivity for thyroid hormone receptor isoforms.
Bmc Struct.Biol., 8, 2008
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6A9O
 | | Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis | | Descriptor: | 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, DIMETHYL SULFOXIDE, Dihydrogen tetrasulfide, ... | | Authors: | Manjula, R, Padmanabhan, B. | | Deposit date: | 2018-07-14 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis.
J.Biomol.Struct.Dyn., 37, 2019
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6AAV
 | | Crystal structure of alpha-glucosyl transfer enzyme, XgtA at 1.72 angstrom resolution | | Descriptor: | Alpha-glucosyltransferase | | Authors: | Kurumizaka, H, Arimura, Y, Kirimura, K, Watanabe, R. | | Deposit date: | 2018-07-19 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structure of alpha-glucosyl transfer enzyme XgtA from Xanthomonas campestris WU-9701.
Biochem.Biophys.Res.Commun., 526, 2020
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6ACU
 | | The structure of CVA10 virus mature virion | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Cui, Y.X, Zheng, Q.B, Zhu, R, Xu, L.F, Li, S.W, Yan, X.D, Zhou, Z.H, Cheng, T. | | Deposit date: | 2018-07-27 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Discovery and structural characterization of a therapeutic antibody against coxsackievirus A10.
Sci Adv, 4, 2018
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6ADG
 | | Crystal Structures of IDH1 R132H in complex with AG-881 | | Descriptor: | 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, Isocitrate dehydrogenase [NADP] cytoplasmic, MAGNESIUM ION, ... | | Authors: | Ma, R, Yun, C.H. | | Deposit date: | 2018-08-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2
Biochem. Biophys. Res. Commun., 503, 2018
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6A8Z
 | | Crystal structure of M1 zinc metallopeptidase from Deinococcus radiodurans | | Descriptor: | SODIUM ION, TYROSINE, ZINC ION, ... | | Authors: | Agrawal, R, Kumar, A, Makde, R.D. | | Deposit date: | 2018-07-11 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.045 Å) | | Cite: | Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain.
J.Struct.Biol., 208, 2019
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5ZVN
 | | Structure of [beta Glc-T9,K7]indolicidin, a glycosylated analogue of indolicidin | | Descriptor: | beta-D-glucopyranose, glycosylated analogue of Indolicidin | | Authors: | Dwivedi, R, Aggarwal, P, Kaur, K.J, Bhavesh, N.S. | | Deposit date: | 2018-05-11 | | Release date: | 2019-06-19 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Design of therapeutically improved analogue of the antimicrobial peptide, indolicidin, using a glycosylation strategy.
Amino Acids, 51, 2019
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6I9N
 | | JmjC domain-containing protein 5 (JMJD5) in complex with Mn and L-2-hydroxyglutarate | | Descriptor: | (2S)-2-HYDROXYPENTANEDIOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2018-11-24 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.361 Å) | | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
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5ZZN
 | | Crystal structure of photosystem II from an SQDG-deficient mutant of Thermosynechococcus elongatus | | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Nakajima, Y, Umena, Y, Nagao, R, Endo, K, Kobayashi, K, Akita, F, Suga, M, Wada, H, Noguchi, T, Shen, J.R. | | Deposit date: | 2018-06-03 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Thylakoid membrane lipid sulfoquinovosyl-diacylglycerol (SQDG) is required for full functioning of photosystem II inThermosynechococcus elongatus.
J. Biol. Chem., 293, 2018
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3IFA
 | | Human muscle fructose-1,6-bisphosphatase E69Q mutant in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase isozyme 2, GLYCEROL, ... | | Authors: | Kolodziejczyk, R, Zarzycki, M, Jaskolski, M, Dzugaj, A. | | Deposit date: | 2009-07-24 | | Release date: | 2010-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure of E69Q mutant of human muscle fructose-1,6-bisphosphatase
Acta Crystallogr.,Sect.D, 67, 2011
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6A2Q
 | | Mycobacterium tuberculosis LexA C-domain I | | Descriptor: | GLYCEROL, LexA repressor | | Authors: | Chandran, A.V, Srikalaivani, R, Paul, A, Vijayan, M. | | Deposit date: | 2018-06-12 | | Release date: | 2019-01-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Biochemical characterization of Mycobacterium tuberculosis LexA and structural studies of its C-terminal segment.
Acta Crystallogr D Struct Biol, 75, 2019
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6I9M
 | | JmjC domain-containing protein 5 (JMJD5) in complex with Mn and R-2-hydroxyglutarate | | Descriptor: | (2R)-2-hydroxypentanedioic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2018-11-23 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
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6A2R
 | | Mycobacterium tuberculosis LexA C-domain II | | Descriptor: | DI(HYDROXYETHYL)ETHER, LexA repressor | | Authors: | Chandran, A.V, Srikalaivani, R, Paul, A, Vijayan, M. | | Deposit date: | 2018-06-12 | | Release date: | 2019-01-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Biochemical characterization of Mycobacterium tuberculosis LexA and structural studies of its C-terminal segment.
Acta Crystallogr D Struct Biol, 75, 2019
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1AQM
 | | ALPHA-AMYLASE FROM ALTEROMONAS HALOPLANCTIS COMPLEXED WITH TRIS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-AMYLASE, CALCIUM ION, ... | | Authors: | Aghajari, N, Haser, R. | | Deposit date: | 1997-07-31 | | Release date: | 1999-03-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures of the psychrophilic alpha-amylase from Alteromonas haloplanctis in its native form and complexed with an inhibitor.
Protein Sci., 7, 1998
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1AQX
 | | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX | | Descriptor: | 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE | | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | | Deposit date: | 1997-08-03 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
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6A8V
 | | PhoQ sensor domain (D179R mutant): analysis of internal cavity | | Descriptor: | Sensor protein PhoQ | | Authors: | Yoshitani, K, Ishii, E, Taniguchi, K, Sugimoto, H, Shiro, Y, Mori, H, Akiyama, Y, Kato, A, Utsumi, R, Eguchi, Y. | | Deposit date: | 2018-07-10 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of an internal cavity in the PhoQ sensor domain for PhoQ activity and SafA-mediated control.
Biosci. Biotechnol. Biochem., 83, 2019
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6A6X
 | | The crystal structure of the Mtb MazE-MazF-mt9 complex | | Descriptor: | Antitoxin MazE7, Probable endoribonuclease MazF7, SULFATE ION | | Authors: | Xie, W, Chen, R, Tu, J. | | Deposit date: | 2018-06-29 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Biochemical Characterization of the Cognate and Heterologous Interactions of the MazEF-mt9 TA System.
Acs Infect Dis., 5, 2019
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