6Z10
 
 | | Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid, CHLORIDE ION, ... | | Authors: | Haffke, M, Villard, F. | | Deposit date: | 2020-05-11 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.269 Å) | | Cite: | Discovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the Improvement of Oral Exposure.
J.Med.Chem., 63, 2020
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5LN2
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6R45
 | | Crystal structure of eukaryotic O-GlcNAcase HAT-like domain | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, O-GlcNAcase | | Authors: | Raimi, O.G, Gorelik, A, Hopkins-Navratilova, I, Aristotelous, T, Ferenbach, A, vanAalten, D. | | Deposit date: | 2019-03-21 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.784 Å) | | Cite: | Crystal structure of eukaryotic O-GlcNAcase HAT-like domain
To Be Published
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6GGN
 | | In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor | | Descriptor: | (4~{S})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Kallen, J. | | Deposit date: | 2018-05-03 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor.
Bioorg. Med. Chem. Lett., 28, 2018
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1RD5
 | | Crystal structure of Tryptophan synthase alpha chain homolog BX1: a member of the chemical plant defense system | | Descriptor: | MALONIC ACID, Tryptophan synthase alpha chain, chloroplast | | Authors: | Kulik, V, Hartmann, E, Weyand, M, Frey, M, Gierl, A, Niks, D, Dunn, M.F, Schlichting, I. | | Deposit date: | 2003-11-05 | | Release date: | 2004-12-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | On the structural basis of the catalytic mechanism and the regulation of the alpha subunit of tryptophan synthase from Salmonella typhimurium and BX1 from maize, two evolutionarily related enzymes.
J.Mol.Biol., 352, 2005
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2MD8
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2MD7
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6R8I
 | | PP4R3A EVH1 domain bound to FxxP motif | | Descriptor: | SER-LEU-PRO-PHE-THR-PHE-LYS-VAL-PRO-ALA-PRO-PRO-PRO-SER-LEU-PRO-PRO-SER, Serine/threonine-protein phosphatase 4 regulatory subunit 3A | | Authors: | Ueki, Y, Kruse, T, Weisser, M.B, Sundell, G.N, Yoo Larsen, M.S, Lopez Mendez, B, Jenkins, N.P, Garvanska, D.H, Cressey, L, Zhang, G, Davey, N, Montoya, G, Ivarsson, Y, Kettenbach, A, Nilsson, J. | | Deposit date: | 2019-04-02 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.517 Å) | | Cite: | A Consensus Binding Motif for the PP4 Protein Phosphatase.
Mol.Cell, 76, 2019
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2V2Q
 | | IspE in complex with ligand | | Descriptor: | 4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, BROMIDE ION, ... | | Authors: | Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-06-06 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Characterization of Cytidine Derivatives that Inhibit the Kinase Ispe of the Non-Mevalonate Pathway for Isoprenoid Biosynthesis.
Chemmedchem, 3, 2008
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2V2V
 | | IspE in complex with ligand | | Descriptor: | 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, 5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-5'-DEOXYCYTIDINE, BROMIDE ION, ... | | Authors: | Alphey, M.S, Hunter, W.N. | | Deposit date: | 2007-06-07 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthesis and Characterization of Cytidine Derivatives that Inhibit the Kinase Ispe of the Non-Mevalonate Pathway for Isoprenoid Biosynthesis.
Chemmedchem, 3, 2008
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6D92
 | | Ternary RsAgo Complex with Guide RNA and Target DNA Containing A-A non-canonical pair at position 3 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*AP*AP*AP*C)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-27 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6D8F
 | | RsAgo Ternary Complex with Guide RNA and Target DNA Containing T-T Bulge Within the Seed Segment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*TP*TP*TP*AP*AP*C)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-26 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6D8P
 | | Ternary RsAgo Complex Containing Guide RNA Paired with Target DNA | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-26 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6D9L
 | | Ternary RsAgo Complex with Guide RNA and Target DNA Containing G-A Non-canonical Pair | | Descriptor: | DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*AP*GP*CP*AP*GP*TP*AP*AP*C)-3'), MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*GP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-30 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6D95
 | | Ternary RsAgo Complex with Guide RNA Paired and Target DNA containing A8-A8' Non-Canonical Pair | | Descriptor: | DNA 24-Mer, MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*AP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-27 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6D9K
 | | Ternary RsAgo Complex with Guide RNA and Target DNA Containing A-G Non-canonical Pair | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*GP*GP*CP*AP*GP*TP*AP*AP*C)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-30 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6F7I
 | | human MALT1(329-728) IN COMPLEX WITH MLT-747 | | Descriptor: | 1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Renatus, M, Renatus, M. | | Deposit date: | 2017-12-09 | | Release date: | 2019-01-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | An allosteric MALT1 inhibitor is a molecular corrector rescuing function in an immunodeficient patient.
Nat. Chem. Biol., 15, 2019
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6D8A
 | | RsAgo Ternary Complex with guide RNA and Target DNA Containing A-A Bulge Within the Seed Segment of the Target Strand | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*AP*AP*TP*AP*AP*C)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-26 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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8JNW
 | | PfDXR - Mn2+ - NADPH - MAMK89 quaternary complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | | Deposit date: | 2023-06-08 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
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8JNV
 | | PfDXR - Mn2+ - MAMK89 ternary complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ... | | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | | Deposit date: | 2023-06-06 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
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2RIS
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4GK7
 | | yeast 20S proteasome in complex with the Syringolin-Glidobactin chimera | | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | | Authors: | Groll, M, Stein, M.L, Bachmann, A. | | Deposit date: | 2012-08-10 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Activity enhancement of the synthetic syrbactin proteasome inhibitor hybrid and biological evaluation in tumor cells.
Biochemistry, 51, 2012
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5J7V
 | | Faustovirus major capsid protein | | Descriptor: | major capsid protein | | Authors: | Klose, T, Rossmann, M.G. | | Deposit date: | 2016-04-06 | | Release date: | 2016-05-18 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (15.5 Å) | | Cite: | Structure of faustovirus, a large dsDNA virus.
Proc.Natl.Acad.Sci.USA, 113, 2016
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2RIU
 | | Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase- alternate interpreation | | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE | | Authors: | Stenkamp, R.E, Le Trong, I. | | Deposit date: | 2007-10-12 | | Release date: | 2008-01-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
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5J7O
 | | Faustovirus major capsid protein | | Descriptor: | major capsid protein, unknown | | Authors: | Klose, T, Rossmann, M.G. | | Deposit date: | 2016-04-06 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure of faustovirus, a large dsDNA virus.
Proc.Natl.Acad.Sci.USA, 113, 2016
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