4RE3
| Different transition state conformations for the hydrolysis of beta-mannosides and beta-glucosides in the rice Os7BGlu26 family GH1 beta-mannosidase/beta-glucosidase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, ... | Authors: | Tankrathok, A, Iglesias-Fernandez, J, Williams, R.J, Hakki, Z, Robinson, R.C, Hrmova, M, Rovira, C, Williams, S.J, Ketudat Cairns, J.R. | Deposit date: | 2014-09-21 | Release date: | 2015-09-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides ACS CATALYSIS, 5, 2015
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5WL6
| Crystal structure of chalcone isomerase engineered from ancestral inference (AncR7) | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase AncR7 | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | Deposit date: | 2017-07-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor. Nat. Chem. Biol., 14, 2018
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4QNY
| Crystal structure of MapK from Leishmania donovani, LDBPK_331470 | Descriptor: | GLYCEROL, MAGNESIUM ION, Mitogen activated protein kinase, ... | Authors: | Wernimont, A.K, Loppnau, P, Walker, J.R, Mangos, M, El Bakkouri, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-18 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.257 Å) | Cite: | Crystal structure of MapK from Leishmania donovani, LDBPK_331470 TO BE PUBLISHED
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5UND
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5UW5
| PCY1 H695A Variant in Complex with Follower Peptide | Descriptor: | CACODYLATE ION, CALCIUM ION, Peptide cyclase 1, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-02-20 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VBB
| Human RNA Pseudouridylate Synthase Domain Containing 1 | Descriptor: | CHLORIDE ION, GLYCEROL, RNA pseudouridylate synthase domain-containing protein 1, ... | Authors: | DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-03-29 | Release date: | 2017-04-19 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Human RNA Pseudouridylate Synthase Domain Containing 1 to be published
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5V9T
| Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) | Descriptor: | Lysine-specific demethylase 5A, N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, NICKEL (II) ION, ... | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | Deposit date: | 2017-03-23 | Release date: | 2017-05-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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6CJO
| Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation. | Descriptor: | Chalcone--flavonone isomerase 1, SULFATE ION | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | Deposit date: | 2018-02-26 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
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1MUQ
| X-ray Crystal Structure of Rattlesnake Venom Complexed With Thiodigalactoside | Descriptor: | 1-thio-beta-D-galactopyranose-(1-1)-beta-D-galactopyranose, CALCIUM ION, Galactose-specific lectin, ... | Authors: | Walker, J.R, Nagar, B, Young, N.M, Hirama, T, Rini, J.M. | Deposit date: | 2002-09-24 | Release date: | 2003-07-01 | Last modified: | 2020-10-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Crystal Structure of a Galactose-Specific C-Type Lectin Possessing a Novel Decameric Quaternary Structure. Biochemistry, 43, 2004
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5UW7
| PCY1 Y481F Variant in Complex with Follower Peptide | Descriptor: | MAGNESIUM ION, Peptide cyclase 1, Presegetalin A1 | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-02-20 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1MVS
| Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase | Descriptor: | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A. | Deposit date: | 2002-09-26 | Release date: | 2003-04-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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4R82
| Streptomyces globisporus C-1027 NADH:FAD oxidoreductase SgcE6 in complex with NAD and FAD fragments | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-08-29 | Release date: | 2014-10-01 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus. Biochemistry, 55, 2016
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5UMS
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5UP4
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5UMV
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5UOT
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1N9B
| Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and specificity of the extended-spectrum SHV-2 enzyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-LACTAMASE SHV-2, ... | Authors: | Nukaga, M, Mayama, K, Hujer, A.M, Bonomo, R.A, Knox, J.R. | Deposit date: | 2002-11-22 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and specificity of the extended-spectrum SHV-2 enzyme J.Mol.Biol., 328, 2003
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6B0O
| Zinc finger Domain of WT1(-KTS form) with 12+1mer Oligonucleotide with 3' Triplet TGT | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*TP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2017-09-14 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites. Nucleic Acids Res., 46, 2018
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5UW6
| PCY1 in Complex with Follower Peptide and Covalent Inhibitor ZPP | Descriptor: | CALCIUM ION, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, Peptide cyclase 1, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2017-02-20 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Characterization of the macrocyclase involved in the biosynthesis of RiPP cyclic peptides in plants. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6B5B
| Cryo-EM structure of the NAIP5-NLRC4-flagellin inflammasome | Descriptor: | Baculoviral IAP repeat-containing protein 1e, Flagellin, NLR family CARD domain-containing protein 4 | Authors: | Tenthorey, J.L, Haloupek, N, Lopez-Blanco, J.R, Grob, P, Adamson, E, Hartenian, E, Lind, N.A, Bourgeois, N.M, Chacon, P, Nogales, E, Vance, R.E. | Deposit date: | 2017-09-29 | Release date: | 2017-11-15 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | The structural basis of flagellin detection by NAIP5: A strategy to limit pathogen immune evasion. Science, 358, 2017
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4RGJ
| Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500 | Descriptor: | Calcium-dependent protein kinase 4 | Authors: | Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | Deposit date: | 2014-09-30 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500 To be Published
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8SA2
| Adenosylcobalamin-bound riboswitch dimer, form 1 | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 1 | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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4REV
| Structure of the dirigent protein DRR206 | Descriptor: | 2,3-DIMETHYLIMIDAZOLIUM ION, CHLORIDE ION, Disease resistance response protein 206, ... | Authors: | Kim, K.-Y, Smith, C.A, Merkley, E.D, Cort, J.R, Davin, L.B, Lewis, N.G. | Deposit date: | 2014-09-24 | Release date: | 2014-11-26 | Last modified: | 2015-02-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Trimeric Structure of (+)-Pinoresinol-forming Dirigent Protein at 1.95 angstrom Resolution with Three Isolated Active Sites. J.Biol.Chem., 290, 2015
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8S99
| Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | Descriptor: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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8SA4
| Adenosylcobalamin-bound riboswitch dimer, form 3 | Descriptor: | Adenosylcobalamin, adenosylcobalamin riboswitch form 3 | Authors: | Ding, J, Deme, J.C, Stagno, J.R, Yu, P, Lea, S.M, Wang, Y.X. | Deposit date: | 2023-03-31 | Release date: | 2023-07-26 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Capturing heterogeneous conformers of cobalamin riboswitch by cryo-EM. Nucleic Acids Res., 51, 2023
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