4WMJ
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8S98
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![BU of 8s98 by Molmil](/molmil-images/mine/8s98) | Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | Descriptor: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | 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: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279. J.Med.Chem., 66, 2023
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6O5I
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![BU of 6o5i by Molmil](/molmil-images/mine/6o5i) | Menin in complex with MI-3454 | Descriptor: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | Authors: | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | Deposit date: | 2019-03-03 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.24025619 Å) | Cite: | Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia. J.Clin.Invest., 130, 2020
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6XS7
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![BU of 6xs7 by Molmil](/molmil-images/mine/6xs7) | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D2 | Descriptor: | 48V-DTY-THR-THR-ILE-TYR-TRP-THR-PRO-LEU-GLY-THR-PHE-PRO-ARG-ILE-ARG, FORMIC ACID, GLYCEROL, ... | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | Deposit date: | 2020-07-15 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex. Sci Adv, 7, 2021
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6XSA
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![BU of 6xsa by Molmil](/molmil-images/mine/6xsa) | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L2 | Descriptor: | 48V-TYR-LEU-PRO-THR-ILE-THR-GLY-VAL-GLY-HIS-LEU-TRP-HIS-PRO-LEU, SULFATE ION, Vacuolar protein sorting-associated protein 29 | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | Deposit date: | 2020-07-15 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex. Sci Adv, 7, 2021
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8SKN
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![BU of 8skn by Molmil](/molmil-images/mine/8skn) | Crystal structure of compound 3-bound human Dynamin-1-like protein GTPase-BSE fusion | Descriptor: | 1,2-ETHANEDIOL, Dynamin-1-like protein GTPase-BSE fusion, N-[4-(azetidin-1-yl)-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide | Authors: | Ma, B. | Deposit date: | 2023-04-20 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of Potent Allosteric DRP1 Inhibitors by Disrupting Protein-Protein Interaction with MiD49. Acs Med.Chem.Lett., 14, 2023
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6XS5
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![BU of 6xs5 by Molmil](/molmil-images/mine/6xs5) | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-D1 | Descriptor: | 48V-DTY-ILE-ILE-ASP-THR-PRO-LEU-GLY-VAL-PHE-LEU-SER-SER-LEU-LYS-ARG, FORMIC ACID, GLYCEROL, ... | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | Deposit date: | 2020-07-15 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex. Sci Adv, 7, 2021
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8SKO
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6I4S
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![BU of 6i4s by Molmil](/molmil-images/mine/6i4s) | Crystal structure of the disease-causing R447G mutant of the human dihydrolipoamide dehydrogenase | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Szabo, E, Wilk, P, Hubert, A, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | Deposit date: | 2018-11-10 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
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6OHB
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![BU of 6ohb by Molmil](/molmil-images/mine/6ohb) | E. coli Guanine Deaminase | Descriptor: | Guanine deaminase, ZINC ION | Authors: | Shek, R.S, French, J.B. | Deposit date: | 2019-04-05 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily. Biochemistry, 58, 2019
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6I4T
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![BU of 6i4t by Molmil](/molmil-images/mine/6i4t) | Crystal structure of the disease-causing I445M mutant of the human dihydrolipoamide dehydrogenase | Descriptor: | Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Szabo, E, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | Deposit date: | 2018-11-10 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.823 Å) | Cite: | Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. Hum.Mol.Genet., 28, 2019
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6XS8
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![BU of 6xs8 by Molmil](/molmil-images/mine/6xs8) | Crystal structure of Chaetomium thermophilum Vps29 complexed with RaPID-derived cyclic peptide RT-D3 | Descriptor: | 48V-DTY-GLY-TYR-ASP-PRO-LEU-GLY-LEU-LYS-TYR-PHE-ALA, Vacuolar protein sorting-associated protein 29 | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | Deposit date: | 2020-07-15 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95009851 Å) | Cite: | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex. Sci Adv, 7, 2021
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6EAY
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6XOD
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![BU of 6xod by Molmil](/molmil-images/mine/6xod) | Crystal structure of the PEX4-PEX22 protein complex from Arabidopsis thaliana | Descriptor: | Peroxisome biogenesis protein 22, Protein PEROXIN-4 | Authors: | Olmos Jr, J.L, Bradford, S.E, Miller, M.D, Xu, W, Wright, Z.J, Bartel, B, Phillips Jr, G.N. | Deposit date: | 2020-07-06 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Structure of the Arabidopsis PEX4-PEX22 Peroxin Complex-Insights Into Ubiquitination at the Peroxisomal Membrane Front Cell Dev Biol, 10, 2022
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6XS9
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![BU of 6xs9 by Molmil](/molmil-images/mine/6xs9) | Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L1 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 48V-TYR-ILE-LYS-THR-PRO-LEU-GLY-THR-PHE-PRO-ASN-ARG-HIS-GLY, GLYCEROL, ... | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | Deposit date: | 2020-07-15 | Release date: | 2021-07-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex. Sci Adv, 7, 2021
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5HTK
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![BU of 5htk by Molmil](/molmil-images/mine/5htk) | Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-O-phosphono-beta-D-fructofuranose, ... | Authors: | Crochet, R.B. | Deposit date: | 2016-01-27 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of heart 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFKFB2) and the inhibitory influence of citrate on substrate binding. Proteins, 85, 2017
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5KQ6
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7PR4
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![BU of 7pr4 by Molmil](/molmil-images/mine/7pr4) | Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster | Descriptor: | Cytochrome c iso-1, HEME C, PHOSPHATE ION, ... | Authors: | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | Deposit date: | 2021-09-20 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Protein Frameworks with Thiacalixarene and Zinc. Cryst.Growth Des., 22, 2022
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6EFU
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![BU of 6efu by Molmil](/molmil-images/mine/6efu) | Crystal structure of the double mutant L167W / P172L of the beta-glucosidase from Trichoderma harzianum | Descriptor: | Beta-glucosidase, NITRATE ION | Authors: | Morais, M.A.B, Santos, C.A, Tonoli, C.C.C, Souza, A.P, Murakami, M.T. | Deposit date: | 2018-08-17 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An engineered GH1 beta-glucosidase displays enhanced glucose tolerance and increased sugar release from lignocellulosic materials. Sci Rep, 9, 2019
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8F6L
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![BU of 8f6l by Molmil](/molmil-images/mine/8f6l) | anti-BTLA monoclonal antibody h25F7 in complex with BTLA | Descriptor: | B- and T-lymphocyte attenuator, h25F7 Fab heavy chain, h25F7 Fab light chain | Authors: | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | Deposit date: | 2022-11-16 | Release date: | 2023-05-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA. Structure, 31, 2023
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8SE5
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![BU of 8se5 by Molmil](/molmil-images/mine/8se5) | NKG2D complexed with inhibitor 14 | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2023-04-08 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D). Bioorg.Med.Chem.Lett., 96, 2023
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4WSG
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![BU of 4wsg by Molmil](/molmil-images/mine/4wsg) | Crystal Structure of Soluble WR PIV5 F-GCNt | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0 | Authors: | Poor, T.A, Song, A.S, Welch, B.D, Kors, C.A, Jardetzky, T.S, Lamb, R.A. | Deposit date: | 2014-10-27 | Release date: | 2015-01-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of Soluble WR PIV5 F-GCNt J.Virol., 89, 2015
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5HPL
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4WNQ
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![BU of 4wnq by Molmil](/molmil-images/mine/4wnq) | THE MOLECULAR BASES OF DELTA/ALPHA-BETA T-CELL MEDIATED ANTIGEN RECOGNITION | Descriptor: | TCR Variable Beta 2 (TRBV20) chain and TCR constant Beta chain, TCR Variable Delta 1 chain and TCR constant Alpha chain | Authors: | Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I. | Deposit date: | 2014-10-14 | Release date: | 2014-11-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The molecular bases of delta / alpha beta T cell-mediated antigen recognition. J.Exp.Med., 211, 2014
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8CDA
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![BU of 8cda by Molmil](/molmil-images/mine/8cda) | Crystal structure of MAB_4123 from Mycobacterium abscessus | Descriptor: | GLYCEROL, PHOSPHATE ION, Probable monooxygenase | Authors: | Ung, K.L, Poussineau, C, Couston, J, Alsarraf, H.M.A.B, Blaise, M. | Deposit date: | 2023-01-30 | Release date: | 2023-05-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of MAB_4123, a putative flavin-dependent monooxygenase from Mycobacterium abscessus. Acta Crystallogr.,Sect.F, 79, 2023
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