8RP5
 
 | | Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis (E241A mutant) | | Descriptor: | 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, TRIETHYLENE GLYCOL | | Authors: | Mojanaga, O.O, Acharya, K.R, Lloyd, M.D. | | Deposit date: | 2024-01-12 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site.
Biomolecules, 14, 2024
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4TW9
 | | Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation | | Descriptor: | CHLORIDE ION, Casein kinase I isoform delta, N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-{[2-(trifluoromethoxy)benzoyl]amino}-1,3-thiazole-4-carboxamide, ... | | Authors: | Richter, J, Bischof, J, Zaja, M, Kohlhof, H, Othersen, O, Vitt, D, Alscher, V, Pospiech, I, Garcia-Reyes, B, Berg, S, Leban, J, Knippschild, U. | | Deposit date: | 2014-06-30 | | Release date: | 2014-07-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Difluoro-dioxolo-benzoimidazol-benzamides As Potent Inhibitors of CK1 delta and epsilon with Nanomolar Inhibitory Activity on Cancer Cell Proliferation.
J.Med.Chem., 57, 2014
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2FU8
 | | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (d-captopril complex) | | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, Metallo-beta-lactamase L1, ... | | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | | Deposit date: | 2006-01-26 | | Release date: | 2007-01-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
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2FYB
 | | Crystal structure of the catalytic domain of the human beta1,4-galactosyltransferase mutant M339H in complex with Mn and UDP-galactose in open conformation | | Descriptor: | Beta-1,4-galactosyltransferase 1, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE | | Authors: | Ramakrishnan, B, Ramasamy, V, Qasba, P.K. | | Deposit date: | 2006-02-07 | | Release date: | 2006-03-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Snapshots of beta-1,4-Galactosyltransferase-I Along the Kinetic Pathway.
J.Mol.Biol., 357, 2006
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8RBO
 | | Cryo-EM structure of Pyrococcus furiosus apo form RNA polymerase contracted clamp conformation | | Descriptor: | DNA-directed RNA polymerase subunit Rpo10, DNA-directed RNA polymerase subunit Rpo11, DNA-directed RNA polymerase subunit Rpo12, ... | | Authors: | Tarau, D.M, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D. | | Deposit date: | 2023-12-04 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
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2FUM
 | | Catalytic domain of protein kinase PknB from Mycobacterium tuberculosis in complex with mitoxantrone | | Descriptor: | 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE, Probable serine/threonine-protein kinase pknB | | Authors: | Wehenkel, A, Alzari, P.M. | | Deposit date: | 2006-01-27 | | Release date: | 2006-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | The structure of PknB in complex with mitoxantrone, an ATP-competitive inhibitor, suggests a mode of protein kinase regulation in mycobacteria
Febs Lett., 580, 2006
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8RGP
 | | Closed Complex I from murine brain | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-12-14 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
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8RGR
 | | Closed Complex I from murine liver | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Vercellino, I, Sazanov, L.A. | | Deposit date: | 2023-12-14 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024
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2FW1
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5D9C
 | | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
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8SD6
 | | Carbonic anhydrase II radiation damage RT 31-60 | | Descriptor: | Carbonic anhydrase 2, ZINC ION | | Authors: | Combs, J.E, Mckenna, R. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.397 Å) | | Cite: | XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
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2FW7
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8SNQ
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5D9K
 | | Rsk2 N-terminal Kinase in Complex with BI-D1870 | | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3 | | Authors: | Appleton, B.A. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
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2FWI
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8S9R
 | | SAL2, Staphylococcus aureus lipase 2 (geh, lip2), apo form | | Descriptor: | CALCIUM ION, Lipase 2, PHOSPHATE ION, ... | | Authors: | Fellner, M. | | Deposit date: | 2023-03-30 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | SAL2, Staphylococcus aureus lipase 2 (geh, lip2), apo form
To Be Published
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3H3B
 | | Crystal structure of the single-chain Fv (scFv) fragment of an anti-ErbB2 antibody chA21 in complex with residues 1-192 of ErbB2 extracellular domain | | Descriptor: | Receptor tyrosine-protein kinase erbB-2, anti-ErbB2 antibody chA21 | | Authors: | Zhou, H, Liu, Y, Niu, L, Zhu, J, Teng, M. | | Deposit date: | 2009-04-16 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Insights into the Down-regulation of Overexpressed p185her2/neu Protein of Transformed Cells by the Antibody chA21.
J.Biol.Chem., 286, 2011
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8S9J
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8ROM
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5DB3
 | | Menin in complex with MI-574 | | Descriptor: | 6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-20 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Property Focused Structure-Based Optimization of Small Molecule Inhibitors of the Protein-Protein Interaction between Menin and Mixed Lineage Leukemia (MLL).
J.Med.Chem., 59, 2016
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8SMA
 | | SfbO with di-Manganese cofactor | | Descriptor: | Amidohydrolase family protein, MANGANESE (II) ION, SULFATE ION | | Authors: | Liu, C, Rittle, J. | | Deposit date: | 2023-04-25 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Bioinformatic Discovery of a Cambialistic Monooxygenase.
J.Am.Chem.Soc., 146, 2024
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8SCA
 | | Rec3 Domain from S. pyogenes Cas9 | | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1 | | Authors: | D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G. | | Deposit date: | 2023-04-05 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9.
Sci Adv, 10, 2024
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2FQT
 | | Crystal structure of B.subtilis LuxS in complex with (2S)-2-Amino-4-[(2R,3S)-2,3-dihydroxy-3-N-hydroxycarbamoyl-propylmercapto]butyric acid | | Descriptor: | (2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID, COBALT (II) ION, S-ribosylhomocysteine lyase, ... | | Authors: | Shen, G, Rajan, R, Zhu, J, Bell, C.E, Pei, D. | | Deposit date: | 2006-01-18 | | Release date: | 2006-05-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Design and Synthesis of Substrate Analogue Inhibitors of S-Ribosylhomocysteinase (LuxS)
J.Med.Chem., 49, 2006
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8SD9
 | | Carbonic anhydrase II radiation damage RT 121-150 | | Descriptor: | Carbonic anhydrase 2, ZINC ION | | Authors: | Combs, J.E, Mckenna, R. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
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8RQP
 | | In meso structure of the alginate exporter, AlgE, from Pseudomonas aeruginosa in 7.10 monoacylglycerol | | Descriptor: | 7.10 monoacylglycerol (R-form), 7.10 monoacylglycerol (S-form), Alginate production protein AlgE, ... | | Authors: | Smithers, L, Boland, C, Krawinski, P, Caffrey, M. | | Deposit date: | 2024-01-19 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins.
Cryst.Growth Des., 24, 2024
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