8FWI
| Structure of dodecameric KaiC-RS-S413E/S414E solved by cryo-EM | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiC, ... | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2023-01-22 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
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8FWJ
| Structure of dodecameric KaiC-RS-S413E/S414E complexed with KaiB-RS solved by cryo-EM | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiB, ... | Authors: | Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D. | Deposit date: | 2023-01-22 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | From primordial clocks to circadian oscillators. Nature, 616, 2023
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5UJG
| ovGRN12-35_3s | Descriptor: | Granulin | Authors: | Bansal, P, Smout, M, Wilson, D, Caceres, C.C, Dastpeyman, M, Sotillo, J, Seifert, J, Brindley, P, Loukas, A, Daly, N. | Deposit date: | 2017-01-17 | Release date: | 2018-01-24 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Development of a Potent Wound Healing Agent Based on the Liver Fluke Granulin Structural Fold. J. Med. Chem., 60, 2017
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4RAD
| Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | (2-{[2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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5UJN
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5V5N
| Crystal structure of Takinib bound to TAK1 | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide | Authors: | Gurbani, D, Westover, K, Bera, A.K. | Deposit date: | 2017-03-14 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Takinib, a Selective TAK1 Inhibitor, Broadens the Therapeutic Efficacy of TNF-alpha Inhibition for Cancer and Autoimmune Disease. Cell Chem Biol, 24, 2017
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5V7G
| Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with NADPH and oxalate | Descriptor: | CHLORIDE ION, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Shabalin, I.G, Mason, D.V, Handing, K.B, Kutner, J, Matelska, D, Cooper, D.R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2017-03-20 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies. Biochemistry, 57, 2018
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5V8E
| Structure of Bacillus cereus PatB1 | Descriptor: | Bacillus cereus PatB1, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | Deposit date: | 2017-03-21 | Release date: | 2017-10-18 | Last modified: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides. Nat. Chem. Biol., 14, 2018
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5UP1
| Solution structure of the de novo mini protein EEHEE_rd3_1049 | Descriptor: | EEHEE_rd3_1049 | Authors: | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | Deposit date: | 2017-02-01 | Release date: | 2017-07-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing. Science, 357, 2017
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1JTJ
| Solution structure of HIV-1Lai mutated SL1 hairpin | Descriptor: | HIV-1Lai SL1 | Authors: | Kieken, F, Arnoult, E, Barbault, F, Paquet, F, Huynh-Dinh, T, Paoletti, J, Genest, D, Lancelot, G. | Deposit date: | 2001-08-21 | Release date: | 2002-12-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | HIV-1(Lai) genomic RNA: combined used of NMR and molecular dynamics simulation for studying
the structure and internal dynamics of a mutated SL1 hairpin. EUR.BIOPHYS.J., 31, 2002
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4R12
| Crystal structure of the gamma-secretase component Nicastrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Xie, T, Yan, C, Zhou, R, Zhao, Y, Sun, L, Yang, G, Lu, P, Ma, D, Shi, Y. | Deposit date: | 2014-08-03 | Release date: | 2014-09-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of the gamma-secretase component nicastrin. Proc.Natl.Acad.Sci.USA, 111, 2014
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5VJO
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1K0L
| Pseudomonas aeruginosa phbh R220Q free of p-OHB | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, SULFATE ION, ... | Authors: | Wang, J, Ortiz-Maldonado, M, Entsch, B, Ballou, D, Gatti, D.L. | Deposit date: | 2001-09-19 | Release date: | 2002-02-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase. Proc.Natl.Acad.Sci.USA, 99, 2002
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5VKZ
| Crystal structure of Mdm12 and combinatorial reconstitution of Mdm12/Mmm1 ERMES complexes for structural studies | Descriptor: | Mitochondrial distribution and morphology protein 12 | Authors: | Egea, P.F, AhYoung, A.P, Lu, B, Tan, H.R, Cascio, D. | Deposit date: | 2017-04-24 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Crystal structure of Mdm12 and combinatorial reconstitution of Mdm12/Mmm1 ERMES complexes for structural studies. Biochem. Biophys. Res. Commun., 488, 2017
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4OIT
| Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis | Descriptor: | LysM domain protein, alpha-D-mannopyranose, beta-D-mannopyranose | Authors: | Patra, D, Mishra, P, Surolia, A, Vijayan, M. | Deposit date: | 2014-01-20 | Release date: | 2014-07-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis. Glycobiology, 24, 2014
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1K22
| HUMAN THROMBIN-INHIBITOR COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ... | Authors: | Stubbs, M.T, Musil, D. | Deposit date: | 2001-09-26 | Release date: | 2002-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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8FLU
| Human PTH1R in complex with LA-PTH and Gs | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M. | Deposit date: | 2022-12-22 | Release date: | 2023-04-26 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Molecular insights into peptide agonist engagement with the PTH receptor. Structure, 31, 2023
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5VFP
| Nucleotide-driven Triple-state Remodeling of the AAA-ATPase Channel in the Activated Human 26S Proteasome | Descriptor: | 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, 26S proteasome non-ATPase regulatory subunit 12, ... | Authors: | Zhu, Y, Wang, W.L, Yu, D, Ouyang, Q, Lu, Y, Mao, Y. | Deposit date: | 2017-04-09 | Release date: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural mechanism for nucleotide-driven remodeling of the AAA-ATPase unfoldase in the activated human 26S proteasome. Nat Commun, 9, 2018
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4RCW
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4RAC
| Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid | Authors: | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | Deposit date: | 2014-09-10 | Release date: | 2015-01-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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8FLR
| Human PTH1R in complex with PTHrP and Gs | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M. | Deposit date: | 2022-12-22 | Release date: | 2023-04-26 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Molecular insights into peptide agonist engagement with the PTH receptor. Structure, 31, 2023
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4RC1
| Structure of the methanofuran/methanopterin biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii with PRPP | Descriptor: | PHOSPHATE ION, UPF0264 protein MJ1099 | Authors: | Bobik, T.A, Morales, E.J, Cascio, D, Sawaya, M.R, Yeates, T.O, Rasche, M.E. | Deposit date: | 2014-09-14 | Release date: | 2014-11-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the methanofuran/methanopterin-biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii. Acta Crystallogr F Struct Biol Commun, 70, 2014
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5VIF
| Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase | Descriptor: | 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ... | Authors: | Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H. | Deposit date: | 2017-04-15 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase. Nat. Chem. Biol., 13, 2017
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8FLT
| Human PTH1R in complex with M-PTH(1-14) and Gs | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Cary, B.P, Belousoff, M.J, Piper, S.J, Wootten, D, Sexton, P.M. | Deposit date: | 2022-12-22 | Release date: | 2023-04-26 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Molecular insights into peptide agonist engagement with the PTH receptor. Structure, 31, 2023
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4QPP
| The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with compound DS-421 (2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE | Descriptor: | 2-{4-[3-chloro-2-(2-methoxyphenyl)-1H-indol-5-yl]piperidin-1-yl}-N-methylethanamine, POLY-UNK, Protein arginine N-methyltransferase 6, ... | Authors: | Dong, A, Zeng, H, Smil, D, Walker, J.R, He, H, Eram, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-24 | Release date: | 2014-08-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Crystal Structure of Human HMT1
hnRNP methyltransferase-like protein 6 in complex with compound DS-421 To be Published
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