3LBS
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7K65
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![BU of 7k65 by Molmil](/molmil-images/mine/7k65) | Hedgehog receptor Patched (PTCH1) in complex with conformation selective nanobody TI23 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | Authors: | Zhang, Y, Bulkley, D.P, Liang, J, Manglik, A, Cheng, Y, Beachy, P.A. | Deposit date: | 2020-09-18 | Release date: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Hedgehog pathway activation through nanobody-mediated conformational blockade of the Patched sterol conduit. Proc.Natl.Acad.Sci.USA, 117, 2020
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2MNY
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![BU of 2mny by Molmil](/molmil-images/mine/2mny) | NMR Structure of KDM5B PHD1 finger | Descriptor: | Lysine-specific demethylase 5B, ZINC ION | Authors: | Zhang, Y, Yang, H.R, Guo, X, Rong, N.Y, Song, Y.J, Xu, Y.W, Lan, W.X, Xu, Y.H, Cao, C. | Deposit date: | 2014-04-16 | Release date: | 2014-08-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The PHD1 finger of KDM5B recognizes unmodified H3K4 during the demethylation of histone H3K4me2/3 by KDM5B. Protein Cell, 5, 2014
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3NTP
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![BU of 3ntp by Molmil](/molmil-images/mine/3ntp) | Human Pin1 complexed with reduced amide inhibitor | Descriptor: | (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Zhang, Y. | Deposit date: | 2010-07-05 | Release date: | 2012-01-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | A reduced-amide inhibitor of Pin1 binds in a conformation resembling a twisted-amide transition state. Biochemistry, 50, 2011
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2MNZ
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![BU of 2mnz by Molmil](/molmil-images/mine/2mnz) | NMR Structure of KDM5B PHD1 finger in complex with H3K4me0(1-10aa) | Descriptor: | H3K4me0, Lysine-specific demethylase 5B, ZINC ION | Authors: | Zhang, Y, Yang, H.R, Guo, X, Rong, N.Y, Song, Y.J, Xu, Y.W, Lan, W.X, Xu, Y.H, Cao, C. | Deposit date: | 2014-04-16 | Release date: | 2014-08-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The PHD1 finger of KDM5B recognizes unmodified H3K4 during the demethylation of histone H3K4me2/3 by KDM5B. Protein Cell, 5, 2014
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3ZEE
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![BU of 3zee by Molmil](/molmil-images/mine/3zee) | Electron cyro-microscopy helical reconstruction of Par-3 N terminal domain | Descriptor: | PARTITIONING DEFECTIVE 3 HOMOLOG | Authors: | Zhang, Y, Wang, W, Chen, J, Zhang, K, Gao, F, Gong, W, Zhang, M, Sun, F, Feng, W. | Deposit date: | 2012-12-05 | Release date: | 2013-10-16 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structural Insights Into the Intrinsic Self-Assembly of Par-3 N-Terminal Domain. Structure, 21, 2013
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4R7H
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![BU of 4r7h by Molmil](/molmil-images/mine/4r7h) | Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397 | Descriptor: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor | Authors: | Zhang, Y, Zhang, K, Zhang, C. | Deposit date: | 2014-08-27 | Release date: | 2015-08-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8001 Å) | Cite: | Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor. N Engl J Med, 373, 2015
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2GHQ
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6O3Y
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![BU of 6o3y by Molmil](/molmil-images/mine/6o3y) | Crystal structure of yeast Nrd1 CID in complex with Sen1 NIM3 | Descriptor: | CHLORIDE ION, Helicase SEN1, Protein NRD1 | Authors: | Zhang, Y, Tong, L. | Deposit date: | 2019-02-27 | Release date: | 2019-06-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Identification of Three Sequence Motifs in the Transcription Termination Factor Sen1 that Mediate Direct Interactions with Nrd1. Structure, 27, 2019
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1TGE
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![BU of 1tge by Molmil](/molmil-images/mine/1tge) | The structure of immature Dengue virus at 12.5 angstrom | Descriptor: | envelope glycoprotein | Authors: | Zhang, Y, Zhang, W, Ogata, S, Clements, D, Strauss, J.H, Baker, T.S, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2004-05-28 | Release date: | 2004-09-28 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (12.5 Å) | Cite: | Conformational changes of the flavivirus e glycoprotein. Structure, 12, 2004
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3LZC
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![BU of 3lzc by Molmil](/molmil-images/mine/3lzc) | Crystal structure of Dph2 from Pyrococcus horikoshii | Descriptor: | Dph2 | Authors: | Zhang, Y, Zhu, X, Torelli, A.T, Lee, M, Dzikovski, B, Koralewski, R.M, Wang, E, Freed, J, Krebs, C, Lin, H, Ealick, S.E. | Deposit date: | 2010-03-01 | Release date: | 2010-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.261 Å) | Cite: | Diphthamide biosynthesis requires an organic radical generated by an iron-sulphur enzyme. Nature, 465, 2010
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1TG8
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![BU of 1tg8 by Molmil](/molmil-images/mine/1tg8) | The structure of Dengue virus E glycoprotein | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, envelope glycoprotein | Authors: | Zhang, Y, Zhang, W, Ogata, S, Clements, D, Strauss, J.H, Baker, T.S, Rossmann, M.G. | Deposit date: | 2004-05-28 | Release date: | 2004-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Conformational changes of the flavivirus e glycoprotein Structure, 12, 2004
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2GHT
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3PWM
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![BU of 3pwm by Molmil](/molmil-images/mine/3pwm) | HIV-1 Protease Mutant L76V with Darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, CHLORIDE ION, ... | Authors: | Zhang, Y, Weber, I.T. | Deposit date: | 2010-12-08 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts. Biochemistry, 50, 2011
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3PQE
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6XGZ
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![BU of 6xgz by Molmil](/molmil-images/mine/6xgz) | Crystal structure of E. coli MlaFB ABC transport subunits in the monomeric state | Descriptor: | 1,2-ETHANEDIOL, ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ... | Authors: | Chang, Y, Bhabha, G, Ekiert, D.C. | Deposit date: | 2020-06-18 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of MlaFB uncovers novel mechanisms of ABC transporter regulation. Elife, 9, 2020
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4G7O
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4G7Z
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7KHK
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7KHJ
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![BU of 7khj by Molmil](/molmil-images/mine/7khj) | Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX8512 in the DFG-in state | Descriptor: | 2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mast/stem cell growth factor receptor Kit | Authors: | Zhang, Y. | Deposit date: | 2020-10-21 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial. Jama Oncol, 7, 2021
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7KHG
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![BU of 7khg by Molmil](/molmil-images/mine/7khg) | Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397 | Descriptor: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Mast/stem cell growth factor receptor Kit | Authors: | Zhang, Y. | Deposit date: | 2020-10-21 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial. Jama Oncol, 7, 2021
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5TIG
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4HVS
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7F7I
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![BU of 7f7i by Molmil](/molmil-images/mine/7f7i) | Stapled Peptide Inhibitor in complex with PSD95 GK domain | Descriptor: | ACE-ARG-ILE-ARG-ARG-ASP-GLU-TYR-LEU-LYZ-ALA-ILE-GLN-NH2, Disks large homolog 4 | Authors: | Shang, Y, Huang, X, Li, X, Zhang, M. | Deposit date: | 2021-06-29 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | Entropy of stapled peptide inhibitors in free state is the major contributor to the improvement of binding affinity with the GK domain. Rsc Chem Biol, 2, 2021
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8J0T
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![BU of 8j0t by Molmil](/molmil-images/mine/8j0t) | Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in the apo-form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H. | Deposit date: | 2023-04-11 | Release date: | 2024-05-22 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587. Nature, 631, 2024
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