1Z4R
| Human GCN5 Acetyltransferase | Descriptor: | ACETYL COENZYME *A, General control of amino acid synthesis protein 5-like 2 | Authors: | Dong, A, Bernstein, G, Schuetz, A, Antoshenko, T, Wu, H, Loppnau, P, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Plotnikov, A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-03-16 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of a binary complex between human GCN5 histone acetyltransferase domain and acetyl coenzyme A Proteins, 68, 2007
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2AGT
| Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CHLORIDE ION, ... | Authors: | Petrova, T, Steuber, H, Hazemann, I, Cousido-Siah, A, Mitschler, A, Chung, R, Oka, M, Klebe, G, El-Kabbani, O, Joachimiak, A, Podjarny, A. | Deposit date: | 2005-07-27 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Factorizing Selectivity Determinants of Inhibitor Binding toward Aldose and Aldehyde Reductases: Structural and Thermodynamic Properties of the Aldose Reductase Mutant Leu300Pro-Fidarestat Complex J.Med.Chem., 48, 2005
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4GAB
| Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldo-keto reductase family 1 member B10, CHLORIDE ION, ... | Authors: | Cousido-Siah, A, Ruiz Figueras, F.X, Mitschler, A, Podjarny, A. | Deposit date: | 2012-07-25 | Release date: | 2013-03-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5971 Å) | Cite: | X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: Implications for inhibitor binding and selectivity. Chem.Biol.Interact, 202, 2013
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6DHE
| RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 Angstrom resolution | Descriptor: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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5LEV
| Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) | Descriptor: | UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-30 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design. Cell, 175, 2018
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4K7B
| Crystal structure of Extrinsic protein in photosystem II | Descriptor: | Extrinsic protein in photosystem II, GLYCEROL, SULFATE ION | Authors: | Nagao, R, Suga, M, Niikura, A, Okumura, A, Koua, F.H.M, Suzuki, T, Tomo, T, Enami, I, Shen, J.R. | Deposit date: | 2013-04-16 | Release date: | 2013-09-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Psb31, a Novel Extrinsic Protein of Photosystem II from a Marine Centric Diatom and Implications for Its Binding and Function Biochemistry, 52, 2013
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6XB0
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6QY1
| Pink beam serial crystallography: Lysozyme, 5 us exposure, 1500 patterns merged | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
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4CD0
| Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol | Descriptor: | (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-29 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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3QUF
| The structure of a family 1 extracellular solute-binding protein from Bifidobacterium longum subsp. infantis | Descriptor: | ACETIC ACID, Extracellular solute-binding protein, family 1, ... | Authors: | Cuff, M.E, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-23 | Release date: | 2011-05-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of a family 1 extracellular solute-binding protein from Bifidobacterium longum subsp. infantis TO BE PUBLISHED
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4CFV
| Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | Descriptor: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylphenol, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | Deposit date: | 2013-11-19 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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8P5S
| Crystal structure of the homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum | Descriptor: | 2-oxoglutarate dehydrogenase E1/E2 component, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, ... | Authors: | Yang, L, Boyko, A, Bellinzoni, M. | Deposit date: | 2023-05-24 | Release date: | 2023-08-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.459 Å) | Cite: | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase. Nat Commun, 14, 2023
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2MHK
| E. coli LpoA N-terminal domain | Descriptor: | Penicillin-binding protein activator LpoA | Authors: | Jean, N.L, Bougault, C, Lodge, A, Derouaux, A, Callens, G, Egan, A, Lewis, R.J, Vollmer, W, Simorre, J. | Deposit date: | 2013-11-26 | Release date: | 2014-06-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Elongated Structure of the Outer-Membrane Activator of Peptidoglycan Synthesis LpoA: Implications for PBP1A Stimulation. Structure, 22, 2014
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11BG
| A POTENTIAL ALLOSTERIC SUBSITE GENERATED BY DOMAIN SWAPPING IN BOVINE SEMINAL RIBONUCLEASE | Descriptor: | PROTEIN (BOVINE SEMINAL RIBONUCLEASE), SULFATE ION, URIDYLYL-2'-5'-PHOSPHO-GUANOSINE | Authors: | Vitagliano, L, Adinolfi, S, Sica, F, Merlino, A, Zagari, A, Mazzarella, L. | Deposit date: | 1999-03-11 | Release date: | 1999-11-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease. J.Mol.Biol., 293, 1999
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4KDD
| Structure of Mycobacterium tuberculosis ribosome recycling factor in presence of detergent | Descriptor: | CADMIUM ION, DECYL-BETA-D-MALTOPYRANOSIDE, Ribosome-recycling factor | Authors: | Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M. | Deposit date: | 2013-04-24 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants. J.Biosci., 38, 2013
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6QXX
| Pink beam serial crystallography: Lysozyme, 5 us exposure, 14793 patterns merged | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
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6DVR
| Crystal structure of human CARM1 with (R)-SKI-72 | Descriptor: | (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ... | Authors: | Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-25 | Release date: | 2018-07-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structure of human CARM1 with (R)-SKI-72 to be published
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4CFU
| Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | Descriptor: | 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | Deposit date: | 2013-11-19 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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6NZL
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4CFM
| Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | Descriptor: | 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | Deposit date: | 2013-11-18 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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4KKT
| Crystal Structure of BesA (P21 form) | Descriptor: | Membrane fusion protein | Authors: | Greene, N.P, Hinchliffe, P, Crow, A, Ababou, A, Hughes, C, Koronakis, V. | Deposit date: | 2013-05-06 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structure of an atypical periplasmic adaptor from a multidrug efflux pump of the spirochete Borrelia burgdorferi. Febs Lett., 587, 2013
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6XB1
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3QTD
| Crystal structure of putative modulator of gyrase (PmbA) from Pseudomonas aeruginosa PAO1 | Descriptor: | GLYCEROL, PmbA protein | Authors: | Tkaczuk, K.L, Chruszcz, M, Evdokimova, E, Liu, F, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-22 | Release date: | 2011-03-30 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of putative modulator of gyrase (PmbA) from Pseudomonas aeruginosa PAO1 To be Published
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4KAY
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4KAW
| Crystal structure of ribosome recycling factor mutant R39G from Mycobacterium tuberculosis | Descriptor: | CADMIUM ION, Ribosome-recycling factor | Authors: | Selvaraj, M, Govindan, A, Seshadri, A, Dubey, B, Varshney, U, Vijayan, M. | Deposit date: | 2013-04-23 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular flexibility of Mycobacterium tuberculosis ribosome recycling factor and its functional consequences: an exploration involving mutants. J.Biosci., 38, 2013
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