6KH1
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![BU of 6kh1 by Molmil](/molmil-images/mine/6kh1) | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Whang, H, Zhao, G. | Deposit date: | 2019-07-12 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes. Chemistry, 26, 2020
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3OUD
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![BU of 3oud by Molmil](/molmil-images/mine/3oud) | MDR769 HIV-1 protease complexed with CA/p2 hepta-peptide | Descriptor: | CA/p2 substrate peptide, MDR HIV-1 protease | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3P8E
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![BU of 3p8e by Molmil](/molmil-images/mine/3p8e) | Crystal structure of human DIMETHYLARGININE DIMETHYLAMINOHYDROLASE-1 (DDAH-1) covalently bound with N5-(1-iminopentyl)-L-ornithine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~5~-[(1S)-1-aminopentyl]-L-ornithine | Authors: | Lluis, M, Wang, Y, Monzingo, A.F, Fast, W, Robertus, J.D. | Deposit date: | 2010-10-13 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4946 Å) | Cite: | Characterization of C-Alkyl Amidines as Bioavailable Covalent Reversible Inhibitors of Human DDAH-1. Chemmedchem, 6, 2011
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3OY3
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![BU of 3oy3 by Molmil](/molmil-images/mine/3oy3) | Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589 | Descriptor: | 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide, Tyrosine-protein kinase ABL1 | Authors: | Zhou, T, Commodore, L, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X. | Deposit date: | 2010-09-22 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance. Chem.Biol.Drug Des., 77, 2011
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3P8P
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![BU of 3p8p by Molmil](/molmil-images/mine/3p8p) | Crystal Structure of Human Dimethylarginine Dimethylaminohydrolase-1 (DDAH-1) variant C274S bound with N5-(1-iminopentyl)-L-ornithine | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N~5~-[(1E)-pentanimidoyl]-L-ornithine | Authors: | Monzingo, A.F, Lluis, M, Wang, Y, Fast, W, Robertus, J.D. | Deposit date: | 2010-10-14 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Characterization of C-Alkyl Amidines as Bioavailable Covalent Reversible Inhibitors of Human DDAH-1. Chemmedchem, 6, 2011
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3OUB
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![BU of 3oub by Molmil](/molmil-images/mine/3oub) | MDR769 HIV-1 protease complexed with NC/p1 hepta-peptide | Descriptor: | MDR HIV-1 protease, NC/p1 substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OXZ
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![BU of 3oxz by Molmil](/molmil-images/mine/3oxz) | Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534 | Descriptor: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1 | Authors: | Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X. | Deposit date: | 2010-09-22 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance. Chem.Biol.Drug Des., 77, 2011
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3OFN
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![BU of 3ofn by Molmil](/molmil-images/mine/3ofn) | Structure of four mutant forms of yeast F1 ATPase: alpha-N67I | Descriptor: | ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ... | Authors: | Arsenieva, D, Symersky, J, Wang, Y, Pagadala, V, Mueller, D.M. | Deposit date: | 2010-08-15 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of mutant forms of the yeast f1 ATPase reveal two modes of uncoupling. J.Biol.Chem., 285, 2010
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5YEL
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![BU of 5yel by Molmil](/molmil-images/mine/5yel) | Crystal structure of CTCF ZFs6-11-gb7CSE | Descriptor: | DNA (26-MER), Transcriptional repressor CTCF, ZINC ION | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | Deposit date: | 2017-09-18 | Release date: | 2017-11-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites Cell Res., 27, 2017
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8WQR
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![BU of 8wqr by Molmil](/molmil-images/mine/8wqr) | Structure of the DDB1-AMBRA1 E3 ligase receptor complex linked to cell cycle regulation | Descriptor: | Activating molecule in BECN1-regulated autophagy protein 1, DNA damage-binding protein 1 | Authors: | Liu, M, Wang, Y, Su, M.Y, Stjepanovic, G. | Deposit date: | 2023-10-12 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structure of the DDB1-AMBRA1 E3 ligase receptor complex linked to cell cycle regulation. Nat Commun, 14, 2023
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3B96
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![BU of 3b96 by Molmil](/molmil-images/mine/3b96) | Structural Basis for Substrate Fatty-Acyl Chain Specificity: Crystal Structure of Human Very-Long-Chain Acyl-CoA Dehydrogenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, TETRADECANOYL-COA, Very long-chain specific acyl-CoA dehydrogenase | Authors: | McAndrew, R.P, Wang, Y, Mohsen, A.W, He, M, Vockley, J, Kim, J.J. | Deposit date: | 2007-11-02 | Release date: | 2008-02-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural basis for substrate fatty acyl chain specificity: crystal structure of human very-long-chain acyl-CoA dehydrogenase. J.Biol.Chem., 283, 2008
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5GQ9
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![BU of 5gq9 by Molmil](/molmil-images/mine/5gq9) | |
5YEH
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![BU of 5yeh by Molmil](/molmil-images/mine/5yeh) | Crystal structure of CTCF ZFs4-8-eCBS | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*CP*CP*GP*CP*TP*AP*GP*AP*GP*GP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*CP*CP*TP*CP*TP*AP*GP*CP*GP*GP*AP*AP*AP*CP*CP*G)-3'), Transcriptional repressor CTCF, ... | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | Deposit date: | 2017-09-17 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.328 Å) | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites Cell Res., 27, 2017
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6N47
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![BU of 6n47 by Molmil](/molmil-images/mine/6n47) | The structure of SB-2-204-tubulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W. | Deposit date: | 2018-11-17 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors. Acs Chem.Biol., 14, 2019
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5H01
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![BU of 5h01 by Molmil](/molmil-images/mine/5h01) | |
5YEF
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![BU of 5yef by Molmil](/molmil-images/mine/5yef) | Crystal structure of CTCF ZFs2-8-Hs5-1aE | Descriptor: | DNA (27-MER), Transcriptional repressor CTCF, ZINC ION | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | Deposit date: | 2017-09-17 | Release date: | 2017-11-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.807 Å) | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites Cell Res., 27, 2017
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7V8G
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![BU of 7v8g by Molmil](/molmil-images/mine/7v8g) | Crystal structure of HOIP RING1 domain bound to IpaH1.4 LRR domain | Descriptor: | E3 ubiquitin-protein ligase RNF31, RING-type E3 ubiquitin transferase, ZINC ION | Authors: | Liu, J, Wang, Y, Pan, L. | Deposit date: | 2021-08-23 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri. Proc.Natl.Acad.Sci.USA, 119, 2022
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7V8E
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![BU of 7v8e by Molmil](/molmil-images/mine/7v8e) | Crystal structure of IpaH1.4 LRR domain bound to HOIL-1L UBL domain. | Descriptor: | RING-type E3 ubiquitin transferase, RanBP-type and C3HC4-type zinc finger-containing protein 1 | Authors: | Liu, J, Wang, Y, Pan, L. | Deposit date: | 2021-08-22 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri. Proc.Natl.Acad.Sci.USA, 119, 2022
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7V8F
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![BU of 7v8f by Molmil](/molmil-images/mine/7v8f) | Crystal structure of UBE2L3 bound to HOIP RING1 domain. | Descriptor: | E3 ubiquitin-protein ligase RNF31, Ubiquitin-conjugating enzyme E2 L3, ZINC ION | Authors: | Liu, J, Wang, Y, Pan, L. | Deposit date: | 2021-08-22 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri. Proc.Natl.Acad.Sci.USA, 119, 2022
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7V8H
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![BU of 7v8h by Molmil](/molmil-images/mine/7v8h) | Crystal structure of LRR domain from Shigella flexneri IpaH1.4 | Descriptor: | RING-type E3 ubiquitin transferase | Authors: | Liu, J, Wang, Y, Pan, L. | Deposit date: | 2021-08-23 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Mechanistic insights into the subversion of the linear ubiquitin chain assembly complex by the E3 ligase IpaH1.4 of Shigella flexneri. Proc.Natl.Acad.Sci.USA, 119, 2022
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5XWY
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![BU of 5xwy by Molmil](/molmil-images/mine/5xwy) | Electron cryo-microscopy structure of LbuCas13a-crRNA binary complex | Descriptor: | A type VI-A CRISPR-Cas RNA-guided RNA ribonuclease, Cas13a, RNA (59-MER) | Authors: | Zhang, X, Wang, Y, Ma, J, Liu, L, Li, X, Li, Z, You, L, Wang, J, Wang, M. | Deposit date: | 2017-06-30 | Release date: | 2017-09-13 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The Molecular Architecture for RNA-Guided RNA Cleavage by Cas13a. Cell, 170, 2017
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3CIG
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![BU of 3cig by Molmil](/molmil-images/mine/3cig) | Crystal structure of mouse TLR3 ectodomain | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Liu, L, Botos, I, Wang, Y, Leonard, J.N, Shiloach, J, Segal, D.M, Davies, D.R. | Deposit date: | 2008-03-11 | Release date: | 2008-05-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural basis of toll-like receptor 3 signaling with double-stranded RNA. Science, 320, 2008
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4RXA
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![BU of 4rxa by Molmil](/molmil-images/mine/4rxa) | Crystal structure of human farnesyl diphosphate synthase in complex with BPH-1358 | Descriptor: | Farnesyl pyrophosphate synthase, N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide, PHOSPHATE ION | Authors: | Liu, Y.-L, Cao, R, Wang, Y, Oldfield, E. | Deposit date: | 2014-12-09 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries. ACS Med Chem Lett, 6, 2015
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4P5K
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![BU of 4p5k by Molmil](/molmil-images/mine/4p5k) | Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergy and Autoimmunity | Descriptor: | HLA class II histocompatibility antigen, DP alpha 1 chain, RAS peptide,HLA class II histocompatibility antigen, ... | Authors: | Clayton, G.M, Wang, Y, Crawford, F, Novikov, A, Wimberly, B.T, Kieft, J.S, Falta, M.T, Bowerman, N.A, Marrack, P, Fontenot, A.P, Dai, S, Kappler, J.W. | Deposit date: | 2014-03-17 | Release date: | 2015-01-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity. Cell, 158, 2014
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6CJ7
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![BU of 6cj7 by Molmil](/molmil-images/mine/6cj7) | Crystal structure of Manduca sexta Serine protease inhibitor (Serpin)-12 | Descriptor: | Serpin-12 | Authors: | Gulati, M, Hu, Y, Peng, S, Pathak, P.K, Wang, Y, Deng, J, Jiang, H. | Deposit date: | 2018-02-26 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Manduca sexta serpin-12 controls the prophenoloxidase activation system in larval hemolymph. Insect Biochem. Mol. Biol., 99, 2018
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