1GNI
 
 | | HUMAN SERUM ALBUMIN COMPLEXED WITH cis-9-OCTADECENOIC ACID (OLEIC ACID) | | Descriptor: | OLEIC ACID, SERUM ALBUMIN | | Authors: | Petitpas, I, Gruene, T, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2001-10-05 | | Release date: | 2002-01-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Human Serum Albumin Complexed with Monounsaturated and Polyunsaturated Fatty Acids.
J.Mol.Biol., 314, 2001
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6TNZ
 | | Human polymerase delta-FEN1-PCNA toolbelt | | Descriptor: | DNA polymerase delta catalytic subunit, DNA polymerase delta subunit 2, DNA polymerase delta subunit 3, ... | | Authors: | Lancey, C, Hamdan, S.M, De Biasio, A. | | Deposit date: | 2019-12-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.05 Å) | | Cite: | Structure of the processive human Pol delta holoenzyme.
Nat Commun, 11, 2020
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3BMY
 | | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | | Descriptor: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | | Deposit date: | 2007-12-13 | | Release date: | 2008-07-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
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6TOZ
 | | Crystal structure of Bacillus paralicheniformis alpha-amylase in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ACETIC ACID, Amylase, ... | | Authors: | Rozeboom, H.J, Janssen, D.B. | | Deposit date: | 2019-12-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020
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8DWR
 | | Crystal structure of the L333V variant of catalase-peroxidase from Mycobacterium tuberculosis | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Diaz-Vilchis, A, Uribe-Vazquez, B, Avila-Linares, A, Rudino-Pinera, E, Soberon, X. | | Deposit date: | 2022-08-01 | | Release date: | 2023-08-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of a catalase-peroxidase variant (L333V-KatG) identified in an INH-resistant Mycobacterium tuberculosis clinical isolate.
Biochem Biophys Rep, 37, 2024
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6C2D
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6TRY
 | | Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with MF13 inhibitor compound | | Descriptor: | 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ... | | Authors: | Gelardi, E.L.M, Garavaglia, S. | | Deposit date: | 2019-12-19 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Progress in the Field of Aldehyde Dehydrogenase Inhibitors: Novel Imidazo[1,2- a ]pyridines against the 1A Family.
Acs Med.Chem.Lett., 11, 2020
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6IQS
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1GL4
 | | Nidogen-1 G2/Perlecan IG3 Complex | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BASEMENT MEMBRANE-SPECIFIC HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN, NIDOGEN-1, ... | | Authors: | Kvansakul, M, Hopf, M, Ries, A, Timpl, R, Hohenester, E. | | Deposit date: | 2001-08-23 | | Release date: | 2001-11-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for the High-Affinity Interaction of Nidogen-1 with Immunoglobulin-Like Domain 3 of Perlecan
Embo J., 20, 2001
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5NGS
 | | Crystal structure of human MTH1 in complex with inhibitor 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-amine | | Descriptor: | 6-(2-phenylethylsulfanyl)-7~{H}-purin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | Deposit date: | 2017-03-20 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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6C3H
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6TSK
 | | Beta-galactosidase in complex with L-ribose | | Descriptor: | Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-20 | | Release date: | 2020-01-08 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
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6TTJ
 | | Neutral invertase 2 from Arabidopsis thaliana | | Descriptor: | Alkaline/neutral invertase CINV1 | | Authors: | Tsirkone, V.G, Osipov, E.M, Beelen, S, Strelkov, S.V. | | Deposit date: | 2019-12-27 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.392 Å) | | Cite: | Crystal structure of Arabidopsis thaliana neutral invertase 2.
Acta Crystallogr.,Sect.F, 76, 2020
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8DWF
 | | Glycosylase MutY variant E43S in complex with DNA containing d(8-oxo-G) paired with substrate adenine | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenine DNA glycosylase, ... | | Authors: | Russelburg, L.P, Demir, M, David, S.S, Horvath, M.P. | | Deposit date: | 2022-08-01 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis for Base Engagement and Stereochemistry Revealed by Alteration of Catalytic Residue Glu43 in DNA Repair Glycosylase MutY
To Be Published
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3BT0
 | | Crystal structure of transthyretin variant V20S | | Descriptor: | Transthyretin | | Authors: | Zanotti, G, Folli, C, Cendron, L, Gliubich, F, Negro, A, Berni, R. | | Deposit date: | 2007-12-27 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural and mutational analyses of protein-protein interactions between transthyretin and retinol-binding protein.
Febs J., 275, 2008
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8BBI
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8DWE
 | | Adenine glycosylase MutY variant E43Q in complex with DNA containing d(8-oxo-G) paired with substrate purine | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenine DNA glycosylase, ... | | Authors: | Russelburg, L.P, Demir, M, David, S.S, Horvath, M.P. | | Deposit date: | 2022-08-01 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Base Engagement and Stereochemistry Revealed by Alteration of Catalytic Residue Glu43 in DNA Repair Glycosylase MutY
To Be Published
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8JU4
 | | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione | | Descriptor: | 3-ketosteroid dehydrogenase, ANDROSTA-1,4-DIENE-3,17-DIONE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hu, Y.L, Li, X, Cheng, X.Y, Song, S.K, Su, Z.D. | | Deposit date: | 2023-06-24 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione
To Be Published
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5NGR
 | | Crystal structure of human MTH1 in complex with fragment inhibitor 8-(methylsulfanyl)-7H-purin-6-amine | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 8-methylsulfanyl-7~{H}-purin-6-amine, SULFATE ION | | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | Deposit date: | 2017-03-20 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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6TTV
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 3 (ASI_M3M_138) | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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8BR4
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8E5J
 | | The crystal structure of 4-n-butylbenzoic acid bound CYP199A4 | | Descriptor: | 4-butylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Doherty, D.Z, Bell, S.G, Bruning, J.B. | | Deposit date: | 2022-08-22 | | Release date: | 2023-08-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation.
Chem Asian J, 17, 2022
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6T6C
 | | Complex with chitin oligomer of C-type lysozyme from the upper gastrointestinal tract of Opisthocomus hoatzin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C | | Authors: | Taylor, E.J, Skjot, M, Skov, L.K, Klausen, M, De Maria, L, Gippert, G.P, Turkenburg, J.P, Davies, G.J, Wilson, K.S. | | Deposit date: | 2019-10-18 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The C-Type Lysozyme from the upper Gastrointestinal Tract of Opisthocomus hoatzin, the Stinkbird.
Int J Mol Sci, 20, 2019
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6C7N
 | | Monoclinic form of malic enzyme from sorghum at 2 angstroms resolution | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Malic enzyme, ... | | Authors: | Trajtenberg, F, Alvarez, C, Buschiazzo, A. | | Deposit date: | 2018-01-23 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular adaptations of NADP-malic enzyme for its function in C4photosynthesis in grasses.
Nat.Plants, 5, 2019
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8I3P
 | | crystal structure of yeast cytosine deaminase mutant yCD-RQ-1/8SAH in complex with (R)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one | | Descriptor: | 1,2-ETHANEDIOL, 4-oxidanyl-3,4-dihydro-1H-pyrimidin-2-one, Cytosine deaminase, ... | | Authors: | Qin, M.M, Deng, H.Z, Yao, L.S. | | Deposit date: | 2023-01-17 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | crystal structure of yeast cytosine deaminase mutant yCD-RQ-1/8SAH in complex with (R)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
To be published
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