5CL6
 
 | |
5TRU
 | | Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4 | | Descriptor: | Cytotoxic T-lymphocyte protein 4, Ipilimumab Fab heavy chain, Ipilimumab Fab light chain | | Authors: | Ramagopal, U.A, Liu, W, Garrett-Thomson, S.C, Yan, Q, Srinivasan, M, Wong, S.C, Bell, A, Mankikar, S, Rangan, V.S, Deshpande, S, Bonanno, J.B, Korman, A.J, Almo, S.C. | | Deposit date: | 2016-10-27 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for cancer immunotherapy by the first-in-class checkpoint inhibitor ipilimumab.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5TY9
 | | Identification of a New Zinc Binding Chemotype by Fragment Screening | | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | | Deposit date: | 2016-11-18 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
|
|
8RTH
 | | Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase | | Descriptor: | 3-methylcrotonyl-CoA carboxylase, putative, 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ... | | Authors: | Ruiz, F.M, Plaza-Pegueroles, A, Fernandez-Tornero, C. | | Deposit date: | 2024-01-26 | | Release date: | 2024-04-17 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.37 Å) | | Cite: | The cryo-EM structure of trypanosome 3-methylcrotonyl-CoA carboxylase provides mechanistic and dynamic insights into its enzymatic function.
Structure, 32, 2024
|
|
6CLE
 | | 1.01 A MicroED structure of GSNQNNF at 1.3 e- / A^2 | | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
6CLM
 | | 1.01 A MicroED structure of GSNQNNF at 1.5 e- / A^2 | | Descriptor: | ACETATE ION, GSNQNNF, ZINC ION | | Authors: | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | Deposit date: | 2018-03-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | | Cite: | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
|
|
4YHA
 | |
4Q6E
 | | Crystal structure of human carbonic anhydrase isozyme II with 4-{[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzene-1-sulfonamide | | Descriptor: | 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2014-04-22 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | 4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases.
Molecules, 19, 2014
|
|
5CO8
 | | Crystal structure of the Holliday junction-resolving enzyme GEN1 (WT) in complex with product DNA and Mg2+ ion | | Descriptor: | DNA (31-MER), DNA (5'-D(*AP*GP*AP*CP*TP*GP*CP*AP*GP*TP*TP*GP*AP*GP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*A)-3'), ... | | Authors: | Liu, Y.J, Freeman, A.D.J, Declais, A.C, Wilson, T.J, Gartner, A, Lilley, D.M.J. | | Deposit date: | 2015-07-20 | | Release date: | 2016-01-13 | | Last modified: | 2018-11-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of a Eukaryotic GEN1 Resolving Enzyme Bound to DNA.
Cell Rep, 13, 2015
|
|
6PVM
 | |
4YJ0
 | | Crystal structure of the DM domain of human DMRT1 bound to 25mer target DNA | | Descriptor: | DNA (25-MER), Doublesex- and mab-3-related transcription factor 1, ZINC ION | | Authors: | Murphy, M.W, Lee, J.K, Rojo, S, Gearhart, M.D, Kurahashi, K, Banerjee, S, Loeuille, G, Bashamboo, A, McElreavey, K, Zarkower, D, Aihara, H, Bardwell, V.J. | | Deposit date: | 2015-03-02 | | Release date: | 2015-05-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.814 Å) | | Cite: | An ancient protein-DNA interaction underlying metazoan sex determination.
Nat.Struct.Mol.Biol., 22, 2015
|
|
4YQO
 | |
5CFQ
 | | Crystal structure of anemone STING (Nematostella vectensis) in complex with 2',3' cGAMP, c[G(2',5')pA(3',5')p] | | Descriptor: | SULFATE ION, Stimulator of Interferon Genes, cGAMP | | Authors: | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | | Deposit date: | 2015-07-08 | | Release date: | 2015-08-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
|
|
6PSN
 | | Anthrax toxin protective antigen channels bound to lethal factor | | Descriptor: | CALCIUM ION, Lethal factor, Protective antigen | | Authors: | Hardenbrook, N.J, Liu, S, Zhou, K, Zhou, Z.H, Krantz, B.A. | | Deposit date: | 2019-07-12 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors.
Nat Commun, 11, 2020
|
|
4YJX
 | | The structure of Agrobacterium tumefaciens ClpS2 bound to L-phenylalaninamide | | Descriptor: | ATP-dependent Clp protease adapter protein ClpS 2, PHENYLALANINE AMIDE, SULFATE ION | | Authors: | Stein, B, Grant, R.A, Sauer, R.T, Baker, T.A. | | Deposit date: | 2015-03-03 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.547 Å) | | Cite: | Structural Basis of an N-Degron Adaptor with More Stringent Specificity.
Structure, 24, 2016
|
|
8SHR
 | | Crystal Structure of PRMT3 with Compound YD1-214 | | Descriptor: | 5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3 | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-14 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal Structure of PRMT3 with Compound YD1-214
To be published
|
|
6T1M
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 4 | | Descriptor: | 1,2-ETHANEDIOL, 4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | Authors: | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-10-04 | | Release date: | 2019-11-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
|
|
7SQC
 | | Ciliary C1 central pair apparatus isolated from Chlamydomonas reinhardtii | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CPC1, Calmodulin, ... | | Authors: | Gui, M, Wang, X, Dutcher, S.K, Brown, A, Zhang, R. | | Deposit date: | 2021-11-05 | | Release date: | 2022-04-13 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Ciliary central apparatus structure reveals mechanisms of microtubule patterning.
Nat.Struct.Mol.Biol., 29, 2022
|
|
5U8U
 | | Dihydrolipoamide dehydrogenase (LpdG) from Pseudomonas aeruginosa | | Descriptor: | DIMETHYL SULFOXIDE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Glasser, N.R, Wang, B.X, Hoy, J.A, Newman, D.K. | | Deposit date: | 2016-12-15 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Pyruvate and alpha-Ketoglutarate Dehydrogenase Complexes of Pseudomonas aeruginosa Catalyze Pyocyanin and Phenazine-1-carboxylic Acid Reduction via the Subunit Dihydrolipoamide Dehydrogenase.
J. Biol. Chem., 292, 2017
|
|
5CNM
 | | mGluR3 complexed with glutamate analog | | Descriptor: | (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Monn, J.A, Clawson, D.K, McKinzie, D. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-09 | | Last modified: | 2015-10-07 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
|
|
6T2B
 | | Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+. | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H. | | Deposit date: | 2019-10-08 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Acs Catalysis, 2020
|
|
5U2N
 | | Crystal structure of human NAMPT with A-1326133 | | Descriptor: | N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | | Authors: | Longenecker, K.L, Raich, D, Korepanova, A.V. | | Deposit date: | 2016-11-30 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
|
|
7KTR
 | | Cryo-EM structure of the human SAGA coactivator complex (TRRAP, core) | | Descriptor: | Ataxin-7, INOSITOL HEXAKISPHOSPHATE, Isoform 3 of Transcription factor SPT20 homolog, ... | | Authors: | Herbst, D.A, Esbin, M.N, Nogales, E. | | Deposit date: | 2020-11-24 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structure of the human SAGA coactivator complex.
Nat.Struct.Mol.Biol., 28, 2021
|
|
3GSR
 | | Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5V peptide variant | | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5V (NLVPVVATV), ... | | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-08-04 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
|
|
6Q7K
 | | ERK2 mini-fragment binding | | Descriptor: | 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-13 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
|
|
