6A6N
 
 | | Crystal structure of an inward-open apo state of the eukaryotic ABC multidrug transporter CmABCB1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP-binding cassette, sub-family B, ... | | Authors: | Kato, H, Nakatsu, T, Kodan, A. | | Deposit date: | 2018-06-28 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Inward- and outward-facing X-ray crystal structures of homodimeric P-glycoprotein CmABCB1.
Nat Commun, 10, 2019
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7XBA
 | | Glutathione S-transferase bound with a covalent inhibitor | | Descriptor: | 3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid, GLUTATHIONE, Glutathione S-transferase P | | Authors: | Jiang, L.L, Zhou, L. | | Deposit date: | 2022-03-21 | | Release date: | 2023-09-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Glutathione S-transferase bound with a covalent inhibitor
To Be Published
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4NG3
 | | Crystal structure of 5-carboxyvanillate decarboxylase from Sphingomonas paucimobilis complexed with 4-Hydroxy-3-methoxy-5-nitrobenzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-3-methoxy-5-nitrobenzoic acid, 5-carboxyvanillate decarboxylase, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Vladimirova, A, Raushel, F.M, Almo, S.C. | | Deposit date: | 2013-11-01 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Crystal structure of 5-carboxyvanillate decarboxylase from Sphingomonas paucimobilis complexed with 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
To be Published
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5H2M
 | | A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 13.8 us after photoexcitation | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S. | | Deposit date: | 2016-10-15 | | Release date: | 2016-12-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
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7XTP
 | | eIF4E in Complex with a Disulphide-Free Autonomous VH Domain | | Descriptor: | Eukaryotic translation initiation factor 4E, VH-S4ss, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE | | Authors: | Brown, C.J, Frosi, Y, Jiang, S, Lin, Y.C. | | Deposit date: | 2022-05-17 | | Release date: | 2022-07-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.828 Å) | | Cite: | Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex.
Nat Commun, 13, 2022
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6TVB
 | | Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with human receptor analogue 6'-SLN | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-09 | | Release date: | 2020-10-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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2ATZ
 | | Crystal structure of protein HP0184 from Helicobacter pylori | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, H. pylori predicted coding region HP0184 | | Authors: | Chang, C, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-08-26 | | Release date: | 2005-10-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of protein HP0184 from Helicobacter pylori
To be Published
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4JOS
 | | Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335) | | Descriptor: | 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteine nucleosidase, ... | | Authors: | Sampathkumar, P, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-18 | | Release date: | 2013-04-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335)
to be published
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5K31
 | | Crystal structure of Human fibrillar procollagen type I C-propeptide Homo-trimer | | Descriptor: | CALCIUM ION, CHLORIDE ION, Collagen alpha-1(I) chain, ... | | Authors: | Sharma, U, Hulmes, D.J.S, Aghajari, N. | | Deposit date: | 2016-05-19 | | Release date: | 2017-03-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of homo- and heterotrimerization of collagen I.
Nat Commun, 8, 2017
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6TW3
 | | HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera | | Descriptor: | (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION | | Authors: | Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | | Deposit date: | 2020-01-12 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.352 Å) | | Cite: | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
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6EFH
 | | Pyruvate decarboxylase from Kluyveromyces lactis soaked with pyruvamide | | Descriptor: | (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Kutter, S, Konig, S. | | Deposit date: | 2018-08-16 | | Release date: | 2018-08-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | The crystal structures of pyruvate decarboxylase from Kluyveromyces lactis in the absence of ligands and in the presence of the substrate surrogate pyruvamide
To be Published
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9FT0
 | | Yeast 20S proteasome in complex with epoxyketone inhibitor 16 | | Descriptor: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | Deposit date: | 2024-06-23 | | Release date: | 2024-07-10 | | Last modified: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
to be published
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8RTZ
 | | The structure of E. coli penicillin binding protein 3 (PBP3) in complex with a bicyclic peptide inhibitor | | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, Bicyclic peptide inhibitor, Peptidoglycan D,D-transpeptidase FtsI | | Authors: | Newman, H, Rowland, C.E, Dods, R, Lewis, N, Stanway, S.J, Bellini, D, Beswick, P. | | Deposit date: | 2024-01-29 | | Release date: | 2024-04-03 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery and chemical optimisation of a potent, Bi-cyclic antimicrobial inhibitor of Escherichia coli PBP3.
Commun Biol, 8, 2025
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3EEL
 | | Candida glabrata Dihydrofolate Reductase complexed with 2,4-diamino-5-[3-methyl-3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)prop-1-ynyl]-6-methylpyrimidine(UCP11153TM) and NADPH | | Descriptor: | 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Liu, J, Anderson, A. | | Deposit date: | 2008-09-04 | | Release date: | 2009-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Probing the active site of Candida glabrata dihydrofolate reductase with high resolution crystal structures and the synthesis of new inhibitors
Chem.Biol.Drug Des., 73, 2009
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2WSB
 | | Crystal structure of the short-chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD | | Descriptor: | GALACTITOL DEHYDROGENASE, MAGNESIUM ION, N-PROPANOL, ... | | Authors: | Carius, Y, Christian, H, Faust, A, Kornberger, P, Kohring, G.W, Giffhorn, F, Scheidig, A.J. | | Deposit date: | 2009-09-04 | | Release date: | 2010-04-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
J.Biol.Chem., 285, 2010
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2WLF
 | | Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACETYL COENZYME *A, ... | | Authors: | Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2009-06-23 | | Release date: | 2009-06-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis.
J.Biol.Chem., 284, 2009
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7BL9
 | | BAZ2A bromodomain in complex with GSK2801 chemical probe | | Descriptor: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Reevaluation of bromodomain ligands targeting BAZ2A.
Protein Sci., 32, 2023
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2WLE
 | | Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ... | | Authors: | Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2009-06-23 | | Release date: | 2009-06-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis.
J.Biol.Chem., 284, 2009
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7BNE
 | | Notum Nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Notum Inhibitor
To Be Published
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7BLL
 | | Structure of SusD homologue BT3013 from Bacteroides thetaiotaomicron | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SusD homolog | | Authors: | Costa, R.L. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural basis for mucin-type O-glycan recognition by proteins of a Bacteroides thetaiotaomicron polysaccharide utilization loci
To Be Published
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5UBW
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4J71
 | | Crystal Structure of GSK3b in complex with inhibitor 1R | | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-12 | | Release date: | 2013-03-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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4ZQC
 | | Tryptophan Synthase from Salmonella typhimurium in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and a single F6F molecule in the beta-site at 1.54 Angstrom resolution. | | Descriptor: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2015-05-08 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 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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7BMD
 | | Notum TDZD8 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jones, E.Y. | | Deposit date: | 2021-01-20 | | Release date: | 2022-03-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Notum Inhibitor TDZD8
To Be Published
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1J39
 | | Crystal Structure of T4 phage BGT in complex with its UDP-glucose substrate | | Descriptor: | DNA beta-glucosyltransferase, GLYCEROL, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Lariviere, L, Morera, S. | | Deposit date: | 2003-01-21 | | Release date: | 2003-08-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structures of the T4 phage beta-glucosyltransferase and the D100A mutant in complex with UDP-glucose: glucose binding and identification of the catalytic base for a direct displacement mechanism.
J.Mol.Biol., 330, 2003
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