6RO8
| The crystal structure of Acinetobacter radioresistens CYP116B5 heme domain | Descriptor: | Cytochrome P450 RhF, HISTIDINE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ciaramella, A, Catucci, G, Gilardi, G, Di Nardo, G. | Deposit date: | 2019-05-10 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of bacterial CYP116B5 heme domain: New insights on class VII P450s structural flexibility and peroxygenase activity. Int.J.Biol.Macromol., 140, 2019
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5K3F
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-05-19 | Release date: | 2017-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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6S2Y
| Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum with Chlorophyll-b | Descriptor: | CHLOROPHYLL B, Water-soluble chlorophyll protein | Authors: | Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E. | Deposit date: | 2019-06-23 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein. Sci Rep, 9, 2019
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4G1E
| Crystal structure of integrin alpha V beta 3 with coil-coiled tag. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Dong, X, Mi, L, Zhu, J, Wang, W, Luo, B, Springer, T.A. | Deposit date: | 2012-07-10 | Release date: | 2012-12-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | AlphaV Beta3 Integrin Crystal Structures and their Functional Implications Biochemistry, 51, 2012
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5CLU
| THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE | Descriptor: | (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | D'Ambrosio, K, De Simone, G. | Deposit date: | 2015-07-16 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases. Chemistry, 22, 2016
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6RKT
| Crystal Structure of TGT in complex with N2-methyl-1H,7H,8H-imidazo[4,5-g]quinazoline-2,6-diamine | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2019-04-30 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Fragment Screening Hit Draws Attention to a Novel Transient Pocket Adjacent to the Recognition Site of the tRNA-Modifying Enzyme TGT. J.Med.Chem., 63, 2020
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6ZNC
| Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (I) | Descriptor: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | Authors: | Rozenberg, H, Degtjarik, O, Diskin-Posner, Y, Shakked, Z. | Deposit date: | 2020-07-06 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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7DJI
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4G1M
| Re-refinement of alpha V beta 3 structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Springer, T.A, Mi, L, Zhu, J. | Deposit date: | 2012-07-10 | Release date: | 2012-12-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Alpha V Beta 3 Integrin Crystal Structures and their Functional Implications Biochemistry, 51, 2012
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2ECU
| Crystal structure of flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DODECAETHYLENE GLYCOL, flavin reductase (HpaC) of 4-hydroxyphenylacetate 3-monooxygnease | Authors: | Kim, S.H, Hisano, T, Iwasaki, W, Ebihara, A, Miki, K. | Deposit date: | 2007-02-14 | Release date: | 2008-01-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of the flavin reductase component (HpaC) of 4-hydroxyphenylacetate 3-monooxygenase from Thermus thermophilus HB8: Structural basis for the flavin affinity Proteins, 70, 2008
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1RI4
| Structure and mechanism of mRNA cap (guanine N-7) methyltransferase | Descriptor: | S-ADENOSYLMETHIONINE, mRNA CAPPING ENZYME | Authors: | Fabrega, C, Hausmann, S, Shen, V, Shuman, S, Lima, C.D. | Deposit date: | 2003-11-16 | Release date: | 2004-02-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase Mol.Cell, 13, 2004
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1RQY
| 9-amino-[N-(2-dimethylamino)proply]-acridine-4-carboxamide bound to d(CGTACG)2 | Descriptor: | 5'-D(CP*GP*TP*AP*CP*G)-3', 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-4-CARBOXAMIDE, COBALT (II) ION, ... | Authors: | Adams, A, Guss, J.M, Denny, W.A, Wakelin, L.P. | Deposit date: | 2003-12-07 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of 9-amino-[N-(2-dimethylamino)propyl]acridine-4-carboxamide bound to d(CGTACG)(2): a comparison of structures of d(CGTACG)(2) complexed with intercalatorsin the presence of cobalt. Acta Crystallogr.,Sect.D, 60, 2004
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5KCJ
| Structure of the human GluN1/GluN2A LBD in complex with GNE6901 | Descriptor: | 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ACETATE ION, GLUTAMIC ACID, ... | Authors: | Wallweber, H.J.A, Lupardus, P.J. | Deposit date: | 2016-06-06 | Release date: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function. Neuron, 89, 2016
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7DVU
| Crystal structure of heme sensor protein PefR in complex with heme and cyanide | Descriptor: | CYANIDE ION, HTH marR-type domain-containing protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nishinaga, M, Nagai, S, Nishitani, Y, Sugimoto, H, Shiro, Y, Sawai, H. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Heme controls the structural rearrangement of its sensor protein mediating the hemolytic bacterial survival. Commun Biol, 4, 2021
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7DVV
| Heme sensor protein PefR from Streptococcus agalactiae bound to operator DNA (28-mer) | Descriptor: | DNA (28-MER), HTH marR-type domain-containing protein | Authors: | Nishinaga, M, Nagai, S, Nishitani, Y, Sugimoto, H, Shiro, Y, Sawai, H. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Heme controls the structural rearrangement of its sensor protein mediating the hemolytic bacterial survival. Commun Biol, 4, 2021
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4WPH
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7JRF
| CO-CO-BOUND NITROGENASE MOFE-PROTEIN FROM A. VINELANDII | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, CARBON MONOXIDE, ... | Authors: | Spatzal, T, Perez, K.A, Buscagan, T.M, Maggiolo, A.O, Rees, D.C. | Deposit date: | 2020-08-12 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structural Characterization of Two CO Molecules Bound to the Nitrogenase Active Site. Angew.Chem.Int.Ed.Engl., 60, 2021
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3FTU
| Leukotriene A4 hydrolase in complex with dihydroresveratrol | Descriptor: | 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, IMIDAZOLE, ... | Authors: | Davies, D.R. | Deposit date: | 2009-01-13 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
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3FU6
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4WX2
| Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with two F6F molecules in the alpha-site and one F6F molecule in the beta-site | Descriptor: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2014-11-13 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water. Biochim.Biophys.Acta, 1864, 2016
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4DG9
| Structure of holo-PA1221, an NRPS protein containing adenylation and PCP domains bound to vinylsulfonamide inhibitor | Descriptor: | 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, PA1221 | Authors: | Mitchell, C.A, Shi, C, Aldrich, C.C, Gulick, A.M. | Deposit date: | 2012-01-25 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structure of PA1221, a Nonribosomal Peptide Synthetase Containing Adenylation and Peptidyl Carrier Protein Domains. Biochemistry, 51, 2012
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8TPX
| Crosslinked 6-deoxyerythronolide B synthase (DEBS) Module 3 in complex with antibody fragment 1B2: trans-oriented 1B2 and ACP | Descriptor: | Antibody Fragment 1B2, Heavy Chain, Light Chain, ... | Authors: | Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C. | Deposit date: | 2023-08-05 | Release date: | 2024-08-07 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for intermodular communication in assembly-line polyketide biosynthesis. Nat.Chem.Biol., 2024
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3FTS
| Leukotriene A4 hydrolase in complex with resveratrol | Descriptor: | ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | Authors: | Davies, D.R. | Deposit date: | 2009-01-13 | Release date: | 2009-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. J.Med.Chem., 52, 2009
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8TPW
| Crosslinked 6-deoxyerythronolide B synthase (DEBS) Module 3 in complex with antibody fragment 1B2: cis-oriented 1B2 and ACP | Descriptor: | Antibody Fragment 1B2, Heavy Chain, Light Chain, ... | Authors: | Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C. | Deposit date: | 2023-08-05 | Release date: | 2024-08-07 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural basis for intermodular communication in assembly-line polyketide biosynthesis. Nat.Chem.Biol., 2024
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1URP
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