8GXP
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![BU of 8gxp by Molmil](/molmil-images/mine/8gxp) | Complex structure of RORgama with betulinic acid | Descriptor: | Betulinic acid, Nuclear receptor ROR-gamma | Authors: | Zhang, X.L, Xu, C, Bai, F. | Deposit date: | 2022-09-20 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists. Eur.J.Med.Chem., 257, 2023
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6JEA
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![BU of 6jea by Molmil](/molmil-images/mine/6jea) | crystal structure of a beta-N-acetylhexosaminidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, ZINC ION | Authors: | Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M. | Deposit date: | 2019-02-04 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.275 Å) | Cite: | Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila. Biochem. Biophys. Res. Commun., 511, 2019
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6JE8
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![BU of 6je8 by Molmil](/molmil-images/mine/6je8) | crystal structure of a beta-N-acetylhexosaminidase | Descriptor: | Beta-N-acetylhexosaminidase, FORMIC ACID, GLYCEROL, ... | Authors: | Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M. | Deposit date: | 2019-02-04 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila. Biochem. Biophys. Res. Commun., 511, 2019
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6JEB
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![BU of 6jeb by Molmil](/molmil-images/mine/6jeb) | crystal structure of a beta-N-acetylhexosaminidase | Descriptor: | ACETAMIDE, Beta-N-acetylhexosaminidase, ZINC ION | Authors: | Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M. | Deposit date: | 2019-02-05 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila. Biochem. Biophys. Res. Commun., 511, 2019
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2IGL
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6MWE
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![BU of 6mwe by Molmil](/molmil-images/mine/6mwe) | CRYSTAL STRUCTURE OF TIE2 IN COMPLEX WITH DECIPERA COMPOUND DP1919 | Descriptor: | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Angiopoietin-1 receptor, SULFATE ION | Authors: | Chun, L, Abendroth, J, Edwards, T.E. | Deposit date: | 2018-10-29 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Selective Tie2 Inhibitor Rebastinib Blocks Recruitment and Function of Tie2 Mol. Cancer Ther., 16, 2017
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3MO8
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![BU of 3mo8 by Molmil](/molmil-images/mine/3mo8) | PWWP Domain of Human Bromodomain and PHD finger-containing protein 1 In Complex with Trimethylated H3K36 Peptide | Descriptor: | Histone H3.2 TRIMETHYLATED H3K36 PEPTIDE, Peregrin | Authors: | Lam, R, Zeng, H, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-22 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural and Histone Binding Ability Characterizations of Human PWWP Domains. Plos One, 6, 2011
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3M06
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![BU of 3m06 by Molmil](/molmil-images/mine/3m06) | Crystal Structure of TRAF2 | Descriptor: | TNF receptor-associated factor 2 | Authors: | Kabaleeswaran, V, Wu, H. | Deposit date: | 2010-03-02 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal structures of the TRAF2: cIAP2 and the TRAF1: TRAF2: cIAP2 complexes: affinity, specificity, and regulation. Mol.Cell, 38, 2010
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8H97
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![BU of 8h97 by Molmil](/molmil-images/mine/8h97) | GH86 agarase Aga86A_Wa | Descriptor: | Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL | Authors: | Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G. | Deposit date: | 2022-10-25 | Release date: | 2023-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1. Carbohydr Polym, 306, 2023
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6NAX
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![BU of 6nax by Molmil](/molmil-images/mine/6nax) | Olfactomedin domain of mouse myocilin | Descriptor: | CALCIUM ION, GLYCEROL, Myocilin, ... | Authors: | Patterson-Orazem, A.C, Hill, S.E, Lieberman, R.L. | Deposit date: | 2018-12-06 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | Differential Misfolding Properties of Glaucoma-Associated Olfactomedin Domains from Humans and Mice. Biochemistry, 58, 2019
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6NNJ
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6NNF
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6NWL
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![BU of 6nwl by Molmil](/molmil-images/mine/6nwl) | Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with hydrocortisone and PGC1a coregulator fragment | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Liu, X, Ortlund, E.A. | Deposit date: | 2019-02-06 | Release date: | 2019-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.595 Å) | Cite: | First High-Resolution Crystal Structures of the Glucocorticoid Receptor Ligand-Binding Domain-Peroxisome Proliferator-ActivatedgammaCoactivator 1-alphaComplex with Endogenous and Synthetic Glucocorticoids. Mol.Pharmacol., 96, 2019
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3MTF
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![BU of 3mtf by Molmil](/molmil-images/mine/3mtf) | Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ... | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-30 | Release date: | 2010-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A new class of small molecule inhibitor of BMP signaling. Plos One, 8, 2013
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6NM6
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5CQJ
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![BU of 5cqj by Molmil](/molmil-images/mine/5cqj) | Crystal structure of E. coli undecaprenyl pyrophosphate synthase in complex with clomiphene | Descriptor: | Clomifene, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | Authors: | Worrall, L.J, Conrady, D.G, Strynadka, N.C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Antagonism screen for inhibitors of bacterial cell wall biogenesis uncovers an inhibitor of undecaprenyl diphosphate synthase. Proc.Natl.Acad.Sci.USA, 112, 2015
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6NWK
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5CQB
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![BU of 5cqb by Molmil](/molmil-images/mine/5cqb) | Crystal structure of E. coli undecaprenyl pyrophosphate synthase | Descriptor: | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific), TRIETHYLENE GLYCOL | Authors: | Worrall, L.J, Conrady, D.G, Strynadka, N.C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Antagonism screen for inhibitors of bacterial cell wall biogenesis uncovers an inhibitor of undecaprenyl diphosphate synthase. Proc.Natl.Acad.Sci.USA, 112, 2015
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3Q4U
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![BU of 3q4u by Molmil](/molmil-images/mine/3q4u) | Crystal structure of the ACVR1 kinase domain in complex with LDN-193189 | Descriptor: | 1,2-ETHANEDIOL, 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ... | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C.D.O, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C.K, Krojer, T, Vollmar, M, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-24 | Release date: | 2011-02-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A new class of small molecule inhibitor of BMP signaling. Plos One, 8, 2013
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7CD9
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![BU of 7cd9 by Molmil](/molmil-images/mine/7cd9) | Crystal Structure of SETDB1 tudor domain in complexed with Compound 6 | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, CITRIC ACID, Histone-lysine N-methyltransferase SETDB1 | Authors: | Xiong, L, Guo, Y, Mao, X, Huang, L, Wu, C, Yang, S. | Deposit date: | 2020-06-19 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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7C9N
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![BU of 7c9n by Molmil](/molmil-images/mine/7c9n) | Crystal structure of SETDB1 tudor domain in complexed with Compound 1. | Descriptor: | 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | Authors: | Guo, Y, Xiong, L, Mao, X, Yang, S. | Deposit date: | 2020-06-06 | Release date: | 2021-04-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.472 Å) | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
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7X7V
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![BU of 7x7v by Molmil](/molmil-images/mine/7x7v) | Cryo-EM structure of SARS-CoV spike protein in complex with three nAbs X01, X10 and X17 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ... | Authors: | Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2022-03-10 | Release date: | 2022-08-17 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.83 Å) | Cite: | The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 119, 2022
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7YHK
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![BU of 7yhk by Molmil](/molmil-images/mine/7yhk) | Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5 | Descriptor: | 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zheng, Q, Li, S, Li, T, Xue, W, Sun, H. | Deposit date: | 2022-07-13 | Release date: | 2022-08-17 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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5B6K
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5XHS
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![BU of 5xhs by Molmil](/molmil-images/mine/5xhs) | Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA | Descriptor: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ... | Authors: | Yu, Y, Li, B, Chen, Q. | Deposit date: | 2017-04-24 | Release date: | 2018-05-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design Rsc Adv, 7, 2017
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