5F2S
 
 | | Crystal structure of human KDM4A in complex with compound 15 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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6WSI
 | | Intact cis-2,3-epoxysuccinic acid bound to Isocitrate Lyase-1 from Mycobacterium tuberculosis | | Descriptor: | (2R,3S)-oxirane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Krieger, I.V, Mellott, D, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2020-05-01 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
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8I89
 | | Crystal structure of Cph001-D189N in complex with VIO | | Descriptor: | DI(HYDROXYETHYL)ETHER, KBE-DPP-SER-SER-UAL-5OH, Viomycin kinase | | Authors: | Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y. | | Deposit date: | 2023-02-03 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
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5F3C
 | | Crystal structure of human KDM4A in complex with compound 52d | | Descriptor: | 8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5ISN
 | | NMR solution structure of macro domain from Venezuelan equine encephalitis virus | | Descriptor: | Non-structural polyprotein | | Authors: | Makrynitsa, G.I, Ntonti, D, Marousis, K.D, Tsika, A.C, Papageorgiou, N, Coutard, B, Bentrop, D, Spyroulias, G.A. | | Deposit date: | 2016-03-15 | | Release date: | 2017-11-29 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose.
J.Struct.Biol., 206, 2019
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8I8G
 | | Crystal structure of Cph001-D189N in complex with CMN IIA and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, KBE-DPP-UAL-MYN-DPP-SER, Viomycin kinase | | Authors: | Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y. | | Deposit date: | 2023-02-04 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
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8I8H
 | | Crystal structure of Cph001-D189N in complex with VIO and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, KBE-DPP-SER-SER-UAL-5OH, ... | | Authors: | Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y. | | Deposit date: | 2023-02-04 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
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5F3G
 | | Crystal structure of human KDM4A in complex with compound 53a | | Descriptor: | 8-[4-[2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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6HBU
 | | Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | | Deposit date: | 2018-08-13 | | Release date: | 2018-11-07 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states.
Nature, 563, 2018
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8PHJ
 | | cA4-bound Cami1 in complex with 70S ribosome | | Descriptor: | 16S rRNA, 23S rRNA (2862-MER), 5S rRNA, ... | | Authors: | Tamulaitiene, G, Mogila, I, Sasnauskas, G, Tamulaitis, G. | | Deposit date: | 2023-06-20 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Ribosomal stalk-captured CARF-RelE ribonuclease inhibits translation following CRISPR signaling.
Science, 382, 2023
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6QWW
 | | HEWL lysozyme, crystallized from CuCl2 solution | | Descriptor: | CHLORIDE ION, COPPER (II) ION, Lysozyme C | | Authors: | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | | Deposit date: | 2019-03-06 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | HEWL lysozyme, crystallized from different chlorides
To Be Published
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6QWY
 | | HEWL lysozyme, crystallized from NaCl solution | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | | Deposit date: | 2019-03-06 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | HEWL lysozyme, crystallized from different chlorides
To Be Published
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1QBA
 | | BACTERIAL CHITOBIASE, GLYCOSYL HYDROLASE FAMILY 20 | | Descriptor: | CHITOBIASE, SULFATE ION | | Authors: | Tews, I, Perrakis, A, Oppenheim, A, Dauter, Z, Wilson, K.S, Vorgias, C.E. | | Deposit date: | 1996-06-06 | | Release date: | 1997-01-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Bacterial chitobiase structure provides insight into catalytic mechanism and the basis of Tay-Sachs disease.
Nat.Struct.Biol., 3, 1996
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1QFE
 | | THE STRUCTURE OF TYPE I 3-DEHYDROQUINATE DEHYDRATASE FROM SALMONELLA TYPHI | | Descriptor: | 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, PROTEIN (3-DEHYDROQUINATE DEHYDRATASE) | | Authors: | Shrive, A.K, Polikarpov, I, Sawyer, L, Coggins, J.R, Hawkins, A.R. | | Deposit date: | 1999-04-05 | | Release date: | 2000-04-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The two types of 3-dehydroquinase have distinct structures but catalyze the same overall reaction.
Nat.Struct.Biol., 6, 1999
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3B9K
 | | Crystal structure of CD8alpha-beta in complex with YTS 156.7 FAB | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light Chain, ... | | Authors: | Shore, D, Wilson, I.A. | | Deposit date: | 2007-11-05 | | Release date: | 2008-11-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Crystal Structure of CD8 in Complex with YTS156.7.7 Fab and Interaction with Other CD8 Antibodies Define the Binding Mode of CD8 alphabeta to MHC Class I
J.Mol.Biol., 384, 2008
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6T44
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6WPX
 | | Crystal structure of Bacillus licheniformis lipase BlEst2 in propetide form | | Descriptor: | BlEst2, IODIDE ION | | Authors: | Nakamura, A.M, Godoy, A.S, Kadowaki, M.A.S, Polikarpov, I. | | Deposit date: | 2020-04-28 | | Release date: | 2021-06-09 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of BlEst2 from Bacillus licheniformis in its propeptide and mature forms reveal autoinhibitory effects of the C-terminal domain
Febs J., n/a, 2024
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2DG2
 | | Crystal Structure of Mouse Apolipoprotein A-I Binding Protein | | Descriptor: | Apolipoprotein A-I binding protein, CHLORIDE ION, SULFATE ION | | Authors: | Shumilin, I.A, Jha, K.N, Zheng, H, Chruszcz, M, Cymborowski, M, Herr, J.C, Minor, W. | | Deposit date: | 2006-03-08 | | Release date: | 2007-03-27 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Biochemical and structural characterization of apolipoprotein A-I binding protein, a novel phosphoprotein with a potential role in sperm capacitation.
Endocrinology, 149, 2008
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1YH2
 | | Ubiquitin-Conjugating Enzyme HSPC150 | | Descriptor: | HSPC150 protein similar to ubiquitin-conjugating enzyme | | Authors: | Walker, J.R, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-01-06 | | Release date: | 2005-02-15 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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6HCR
 | | Synthetic Self-assembling ADDomer Platform for Highly Efficient Vaccination by Genetically-encoded Multi-epitope Display | | Descriptor: | Penton protein | | Authors: | Bufton, J.C, Berger, I, Schaffitzel, C, Garzoni, F, Rabi, F.A. | | Deposit date: | 2018-08-16 | | Release date: | 2019-08-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Synthetic self-assembling ADDomer platform for highly efficient vaccination by genetically encoded multiepitope display.
Sci Adv, 5, 2019
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5WI5
 | | 2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium. | | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, MAGNESIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-07-18 | | Release date: | 2017-08-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2.0 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with Uridine-diphosphate-2(n-acetylglucosaminyl) butyric acid, (2R)-2-(phosphonooxy)propanoic acid and Magnesium.
To Be Published
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6T42
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2YOK
 | | Cellobiohydrolase I Cel7A from Trichoderma harzianum at 1.7 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Textor, L.C, Colussi, F, Serpa, V, Squina, F.M, Pereira Jr, N, Polikarpov, I. | | Deposit date: | 2012-10-25 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Joint X-Ray Crystallographic and Molecular Dynamics Study of Cellobiohydrolase I from Trichoderma Harzianum: Deciphering the Structural Features of Cellobiohydrolase Catalytic Activity.
FEBS J., 280, 2013
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8Q3V
 | | Cryo-EM structure of the methanogenic Na+ translocating N5-methyl-H4MPT:CoM methyltransferase complex | | Descriptor: | MAGNESIUM ION, SODIUM ION, Tetrahydromethanopterin S-methyltransferase subunit A 1, ... | | Authors: | Aziz, I, Vonck, J, Ermler, U. | | Deposit date: | 2023-08-04 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.08 Å) | | Cite: | Structural and mechanistic basis of the central energy-converting methyltransferase complex of methanogenesis.
Proc.Natl.Acad.Sci.USA, 121, 2024
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5K1V
 | | Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ... | | Authors: | Saridakis, E, Papakyriakou, A, Giastas, P, Mpakali, A, Mavridis, I.M, Stratikos, E. | | Deposit date: | 2016-05-18 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.897 Å) | | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.
ACS Med Chem Lett, 8, 2017
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