1QMN
 
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3C2T
 | | Evolution of chlorella virus dUTPase | | Descriptor: | DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION | | Authors: | Yamanishi, M, Homma, K, Zhang, Y, Etten, L.V.J, Moriyama, H. | | Deposit date: | 2008-01-25 | | Release date: | 2009-02-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystallization and crystal-packing studies of Chlorella virus deoxyuridine triphosphatase.
Acta Crystallogr.,Sect.F, 65, 2009
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5UQK
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6VIL
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5US5
 | | Solution structure of the IreB homodimer | | Descriptor: | UPF0297 protein EF_1202 | | Authors: | Lytle, B.L, Peterson, F.C, Volkman, B.F, Kristich, C.J, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2017-02-13 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and Dimerization of IreB, a Negative Regulator of Cephalosporin Resistance in Enterococcus faecalis.
J. Mol. Biol., 429, 2017
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4LTZ
 | | F95M Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-24 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.448 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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6T3I
 | | Solution structure of the HRP2 IBD | | Descriptor: | Hepatoma-derived growth factor-related protein 2 | | Authors: | Veverka, V. | | Deposit date: | 2019-10-11 | | Release date: | 2020-11-18 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Unlike Its Paralog LEDGF/p75, HRP-2 Is Dispensable for MLL-R Leukemogenesis but Important for Leukemic Cell Survival.
Cells, 10, 2021
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4LUU
 | | V329A Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-25 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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1QM4
 | | Methionine Adenosyltransferase Complexed with a L-Methionine Analogue | | Descriptor: | L-2-AMINO-4-METHOXY-CIS-BUT-3-ENOIC ACID, MAGNESIUM ION, METHIONINE ADENOSYLTRANSFERASE, ... | | Authors: | Gonzalez, B, Pajares, M.A, Hermoso, J.A, Sanz-Aparicio, J. | | Deposit date: | 1999-09-20 | | Release date: | 2000-09-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | The Crystal Structure of Tetrameric Methionine Adenosyltransferase from Rat Liver Reveals the Methionine-Binding Site
J.Mol.Biol., 300, 2000
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4LXW
 | | L72V Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation | | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Li, R, Chou, W, Himmelberger, J.A, Litwin, K, Harris, G, Cane, D.E, Christianson, D.W. | | Deposit date: | 2013-07-30 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase.
Biochemistry, 53, 2014
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1QLG
 | | Crystal structure of phytase with magnesium from Bacillus amyloliquefaciens | | Descriptor: | 3-PHYTASE, CALCIUM ION, MAGNESIUM ION | | Authors: | Shin, S, Ha, N.-C, Oh, B.-H. | | Deposit date: | 1999-08-31 | | Release date: | 2000-02-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of a Novel, Thermostable Phytase in Partially and Fully Calcium-Loaded States
Nat.Struct.Biol., 7, 2000
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5QCR
 | | Crystal structure of BACE complex with BMC026 | | Descriptor: | 2-(butylamino)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-6-methoxypyridine-4-carboxamide, Beta-secretase 1, SULFATE ION | | Authors: | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-12-01 | | Release date: | 2020-06-03 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
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4ERQ
 | | X-ray structure of WDR5-MLL2 Win motif peptide binary complex | | Descriptor: | Histone-lysine N-methyltransferase MLL2, WD repeat-containing protein 5 | | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | | Deposit date: | 2012-04-20 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
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3C3I
 | | Evolution of chlorella virus dUTPase | | Descriptor: | DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine triphosphatase, MAGNESIUM ION | | Authors: | Yamanishi, M, Homma, K, Zhang, Y, Etten, L.V.J, Moriyama, H. | | Deposit date: | 2008-01-28 | | Release date: | 2009-02-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystallization and crystal-packing studies of Chlorella virus deoxyuridine triphosphatase.
Acta Crystallogr.,Sect.F, 65, 2009
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1OCQ
 | | COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHEARANS AT 1.08 ANGSTROM RESOLUTION with cellobio-derived isofagomine | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDOGLUCANASE 5A, GLYCEROL, ... | | Authors: | Varrot, A, Macdonald, J, Stick, R.V, Withers, S.G, Davies, G.J. | | Deposit date: | 2003-02-09 | | Release date: | 2003-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Direct Observation of the Protonation State of an Imino Sugar Glycosidase Inhibitor Upon Binding
J.Am.Chem.Soc., 125, 2003
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402D
 | | 5'-R(*CP*GP*CP*CP*AP*GP*CP*G)-3' | | Descriptor: | RNA(5'-R(*CP*GP*CP*CP*AP*GP*CP*G)-3') | | Authors: | Jang, S.B, Hung, L.-W, Chi, Y.-I, Holbrook, E.L, Carter, R, Holbrook, S.R. | | Deposit date: | 1998-06-04 | | Release date: | 1998-06-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of an RNA internal loop consisting of tandem C-A+ base pairs.
Biochemistry, 37, 1998
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6V1S
 | | Structure of the Clostridioides difficile transferase toxin | | Descriptor: | ADP-ribosylating binary toxin enzymatic subunit CdtA, ADP-ribosyltransferase binding component, CALCIUM ION | | Authors: | Sheedlo, M.J, Anderson, D.M, Thomas, A.K, Lacy, D.B. | | Deposit date: | 2019-11-21 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural elucidation of theClostridioides difficiletransferase toxin reveals a single-site binding mode for the enzyme.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4NY6
 | | Neutron structure of leucine and valine methyl protonated type III antifreeze | | Descriptor: | Type-3 ice-structuring protein HPLC 12 | | Authors: | Fisher, S.J, Blakeley, M.P, Howard, E.I, Petite-Haertlein, I, Haertlein, M, Mitschler, A, Cousido-Siah, A, Salvaya, A.G, Popov, A, Muller-Dieckmann, C, Petrova, T, Podjarny, A.D. | | Deposit date: | 2013-12-10 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (1.05 Å), X-RAY DIFFRACTION | | Cite: | Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography.
Acta Crystallogr.,Sect.D, 70, 2014
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5UGC
 | | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | | Authors: | Gajiwala, K.S, Ferre, R.A. | | Deposit date: | 2017-01-08 | | Release date: | 2017-03-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR.
J. Med. Chem., 60, 2017
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5T5I
 | | TUNGSTEN-CONTAINING FORMYLMETHANOFURAN DEHYDROGENASE FROM METHANOTHERMOBACTER WOLFEII, ORTHORHOMBIC FORM AT 1.9 A | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CALCIUM ION, GLYCEROL, ... | | Authors: | Wagner, T, Ermler, U, Shima, S. | | Deposit date: | 2016-08-31 | | Release date: | 2016-10-19 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The methanogenic CO2 reducing-and-fixing enzyme is bifunctional and contains 46 [4Fe-4S] clusters.
Science, 354, 2016
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1QHN
 | | CHLORAMPHENICOL PHOSPHOTRANSFERASE FROM STREPTOMYCES VENEZUELAE | | Descriptor: | CHLORAMPHENICOL PHOSPHOTRANSFERASE, SULFATE ION | | Authors: | Izard, T. | | Deposit date: | 1999-05-23 | | Release date: | 2000-06-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Crystal Structures of Chloramphenicol Phosphotransferase Reveal a Novel Inactivation Mechanism
Embo J., 19, 2000
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5O7N
 | | Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-carboxylic acid | | Descriptor: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase VIM-2, ... | | Authors: | Buettner, D, Kramer, J.S, Pogoryelov, D, Proschak, E. | | Deposit date: | 2017-06-09 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-beta-Lactamases.
Acs Infect Dis., 4, 2018
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5T7F
 | | PI3Kdelta in complex with the inhibitor GS-643624 | | Descriptor: | 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Somoza, J.R, Villasenor, A. | | Deposit date: | 2016-09-04 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
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1QQU
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5ODH
 | | Heterodisulfide reductase / [NiFe]-hydrogenase complex from Methanothermococcus thermolithotrophicus soaked with heterodisulfide for 3.5 minutes | | Descriptor: | 1-THIOETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | | Authors: | Wagner, T, Koch, J, Ermler, U, Shima, S. | | Deposit date: | 2017-07-05 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Science, 357, 2017
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