8UG3
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![BU of 8ug3 by Molmil](/molmil-images/mine/8ug3) | Crystal structure of KHK-C and compound 23 | Descriptor: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ... | Authors: | Durbin, J.D, Guo, S.Y. | Deposit date: | 2023-10-05 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor. J.Med.Chem., 66, 2023
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8UG1
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![BU of 8ug1 by Molmil](/molmil-images/mine/8ug1) | Crystal structure of KHK-C and compound 13 | Descriptor: | GLYCEROL, Ketohexokinase, SULFATE ION, ... | Authors: | Durbin, J.D, Guo, S.Y. | Deposit date: | 2023-10-05 | Release date: | 2023-12-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor. J.Med.Chem., 66, 2023
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4PF9
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![BU of 4pf9 by Molmil](/molmil-images/mine/4pf9) | Crystal structure of insulin degrading enzyme complexed with inhibitor | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate | Authors: | Wang, Y, Guo, S. | Deposit date: | 2014-04-28 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem., 290, 2015
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6IUT
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![BU of 6iut by Molmil](/molmil-images/mine/6iut) | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody AVFluIgG01 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AVFluIgG01 Heavy Chain, ... | Authors: | Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X. | Deposit date: | 2018-11-30 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional definition of a vulnerable site on the hemagglutinin of highly pathogenic avian influenza A virus H5N1. J. Biol. Chem., 294, 2019
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4PF7
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![BU of 4pf7 by Molmil](/molmil-images/mine/4pf7) | Crystal structure of insulin degrading enzyme complexed with inhibitor | Descriptor: | (2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide, Insulin-degrading enzyme, ZINC ION | Authors: | Wang, Y, Guo, S. | Deposit date: | 2014-04-28 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem., 290, 2015
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2N6N
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![BU of 2n6n by Molmil](/molmil-images/mine/2n6n) | Structure Determination for spider toxin, U4-agatoxin-Ao1a | Descriptor: | U4-agatoxin-Ao1a | Authors: | Pineda, S.S, Chin, Y.K.-Y, Mobli, M.S, King, G.F. | Deposit date: | 2015-08-27 | Release date: | 2016-08-31 | Last modified: | 2023-03-08 | Method: | SOLUTION NMR | Cite: | Structural venomics reveals evolution of a complex venom by duplication and diversification of an ancient peptide-encoding gene. Proc.Natl.Acad.Sci.USA, 117, 2020
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2N6R
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![BU of 2n6r by Molmil](/molmil-images/mine/2n6r) | |
2N8K
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![BU of 2n8k by Molmil](/molmil-images/mine/2n8k) | Chemical Shift Assignments and Structure Determination for spider toxin, U33-theraphotoxin-Cg1c | Descriptor: | U33-theraphotoxin-Cg1b | Authors: | Chin, Y.K.-Y, Pineda, S.S, Mobli, M, King, G.F. | Deposit date: | 2015-10-20 | Release date: | 2016-08-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structural venomics reveals evolution of a complex venom by duplication and diversification of an ancient peptide-encoding gene. Proc.Natl.Acad.Sci.USA, 117, 2020
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6OHX
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![BU of 6ohx by Molmil](/molmil-images/mine/6ohx) | |
6FM2
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![BU of 6fm2 by Molmil](/molmil-images/mine/6fm2) | CARP domain of mouse cyclase-associated protein 1 (CAP1) bound to ADP-actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Kotila, T.M, Kogan, K, Lappalainen, P. | Deposit date: | 2018-01-30 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of actin monomer re-charging by cyclase-associated protein. Nat Commun, 9, 2018
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3W2D
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![BU of 3w2d by Molmil](/molmil-images/mine/3w2d) | Crystal Structure of Staphylococcal Eenterotoxin B in complex with a novel neutralization monoclonal antibody Fab fragment | Descriptor: | Enterotoxin type B, Monoclonal Antibody 3E2 Fab figment heavy chain, Monoclonal Antibody 3E2 Fab figment light chain, ... | Authors: | Liang, S.Y, Hu, S, Dai, J.X, Guo, Y.J, Lou, Z.Y. | Deposit date: | 2012-11-28 | Release date: | 2013-12-25 | Last modified: | 2014-04-16 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for the neutralization and specificity of Staphylococcal enterotoxin B against its MHC Class II binding site. MAbs, 6, 2014
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5C9C
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![BU of 5c9c by Molmil](/molmil-images/mine/5c9c) | CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND | Descriptor: | 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf | Authors: | Edwards, T, Abendroth, J, Chun, L. | Deposit date: | 2015-06-26 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers. Cancer Cell, 28, 2015
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3QAH
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![BU of 3qah by Molmil](/molmil-images/mine/3qah) | Crystal structure of apo-form human MOF catalytic domain | Descriptor: | Probable histone acetyltransferase MYST1, ZINC ION | Authors: | Sun, B, Tang, Q, Zhong, C, Ding, J. | Deposit date: | 2011-01-11 | Release date: | 2011-07-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Regulation of the histone acetyltransferase activity of hMOF via autoacetylation of Lys274 Cell Res., 21, 2011
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6F08
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![BU of 6f08 by Molmil](/molmil-images/mine/6f08) | 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1) | Descriptor: | 14-3-3 protein zeta/delta, PENTAETHYLENE GLYCOL, Son of sevenless homolog 1 | Authors: | Ballone, A, Centorrino, F, Ottmann, C, Guo, S, Leysen, S. | Deposit date: | 2017-11-17 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1). J. Struct. Biol., 202, 2018
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6F09
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![BU of 6f09 by Molmil](/molmil-images/mine/6f09) | Binary complex of 14-3-3 zeta with ubiquitin specific protease 8 (USP8) pSer718 peptide | Descriptor: | 14-3-3 protein zeta/delta, Ubiquitin carboxyl-terminal hydrolase 8 | Authors: | Centorrino, F, Ballone, A, Ottmann, C, Guo, S, Leysen, S. | Deposit date: | 2017-11-17 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Biophysical and structural insight into the USP8/14-3-3 interaction. FEBS Lett., 592, 2018
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1NF3
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![BU of 1nf3 by Molmil](/molmil-images/mine/1nf3) | Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6 | Descriptor: | G25K GTP-binding protein, placental isoform, MAGNESIUM ION, ... | Authors: | Garrard, S.M, Capaldo, C.T, Gao, L, Rosen, M.K, Macara, I.G, Tomchick, D.R. | Deposit date: | 2002-12-12 | Release date: | 2003-03-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6 Embo J., 22, 2003
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4NFE
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![BU of 4nfe by Molmil](/molmil-images/mine/4nfe) | Human kallikrein-related peptidase 2 in complex with benzamidine | Descriptor: | BENZAMIDINE, Kallikrein-2, SULFATE ION | Authors: | Skala, W, Brandstetter, H, Magdolen, V, Goettig, P. | Deposit date: | 2013-10-31 | Release date: | 2014-10-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity J.Biol.Chem., 289, 2014
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4NFF
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![BU of 4nff by Molmil](/molmil-images/mine/4nff) | Human kallikrein-related peptidase 2 in complex with PPACK | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Kallikrein-2 | Authors: | Skala, W, Brandstetter, H, Magdolen, V, Goettig, P. | Deposit date: | 2013-10-31 | Release date: | 2014-10-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity J.Biol.Chem., 289, 2014
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4Q2J
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![BU of 4q2j by Molmil](/molmil-images/mine/4q2j) | A novel structure-based mechanism for DNA-binding of SATB1 | Descriptor: | DNA-binding protein SATB1 | Authors: | Wang, Z, Long, J, Yang, X, Shen, Y. | Deposit date: | 2014-04-08 | Release date: | 2015-03-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Crystal structure of the ubiquitin-like domain-CUT repeat-like tandem of special AT-rich sequence binding protein 1 (SATB1) reveals a coordinating DNA-binding mechanism. J.Biol.Chem., 289, 2014
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2I0J
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![BU of 2i0j by Molmil](/molmil-images/mine/2i0j) | Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor alpha | Authors: | Wang, Y. | Deposit date: | 2006-08-10 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Benzopyrans are selective estrogen receptor Beta agonists with novel activity in models of benign prostatic hyperplasia. J.Med.Chem., 49, 2006
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2I0G
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![BU of 2i0g by Molmil](/molmil-images/mine/2i0g) | Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta | Authors: | Wang, Y. | Deposit date: | 2006-08-10 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Benzopyrans are selective estrogen receptor Beta agonists with novel activity in models of benign prostatic hyperplasia. J.Med.Chem., 49, 2006
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6LAN
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![BU of 6lan by Molmil](/molmil-images/mine/6lan) | Structure of CCDC50 and LC3B complex | Descriptor: | Coiled-coil domain-containing protein 50,Microtubule-associated proteins 1A/1B light chain 3B | Authors: | Liu, L, Li, J, Hou, P. | Deposit date: | 2019-11-12 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | A novel selective autophagy receptor, CCDC50, delivers K63 polyubiquitination-activated RIG-I/MDA5 for degradation during viral infection. Cell Res., 31, 2021
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8SEM
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![BU of 8sem by Molmil](/molmil-images/mine/8sem) | |
7XKE
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![BU of 7xke by Molmil](/molmil-images/mine/7xke) | Cryo-EM structure of DHEA-ADGRG2-FL-Gs complex | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X. | Deposit date: | 2022-04-19 | Release date: | 2022-08-10 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures of the ADGRG2-G s complex in apo and ligand-bound forms. Nat.Chem.Biol., 18, 2022
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7XKD
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![BU of 7xkd by Molmil](/molmil-images/mine/7xkd) | Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X. | Deposit date: | 2022-04-19 | Release date: | 2022-08-10 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structures of the ADGRG2-G s complex in apo and ligand-bound forms. Nat.Chem.Biol., 18, 2022
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