3B61
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1KJ1
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![BU of 1kj1 by Molmil](/molmil-images/mine/1kj1) | MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM GARLIC (ALLIUM SATIVUM) BULBS COMPLEXED WITH ALPHA-D-MANNOSE | Descriptor: | alpha-D-mannopyranose, lectin I, lectin II | Authors: | Ramachandraiah, G, Chandra, N.R, Surolia, A, Vijayan, M. | Deposit date: | 2001-12-04 | Release date: | 2002-02-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Re-refinement using reprocessed data to improve the quality of the structure: a case study involving garlic lectin. Acta Crystallogr.,Sect.D, 58, 2002
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3B5D
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3B62
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4LSG
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7RSJ
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![BU of 7rsj by Molmil](/molmil-images/mine/7rsj) | Structure of the VPS34 kinase domain with compound 14 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSP
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![BU of 7rsp by Molmil](/molmil-images/mine/7rsp) | Structure of the VPS34 kinase domain with compound 14 | Descriptor: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSV
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![BU of 7rsv by Molmil](/molmil-images/mine/7rsv) | Structure of the VPS34 kinase domain with compound 5 | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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5Y6K
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![BU of 5y6k by Molmil](/molmil-images/mine/5y6k) | Human serum trnasferrin bound to a fluorescent probe | Descriptor: | (2S)-6-[2-(7-azido-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-2-[bis(2-hydroxy-2-oxoethyl)amino]hexanoic acid, FE (III) ION, MALONATE ION, ... | Authors: | Jiang, N, Cheng, T, Wang, M, Chan, G.C.F, Jin, L, Li, H, Sun, H. | Deposit date: | 2017-08-12 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Tracking iron-associated proteomes in pathogens by a fluorescence approach. Metallomics, 10, 2018
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3MKT
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![BU of 3mkt by Molmil](/molmil-images/mine/3mkt) | Structure of a Cation-bound Multidrug and Toxin Compound Extrusion (MATE) transporter | Descriptor: | Multi antimicrobial extrusion protein (Na(+)/drug antiporter) MATE-like MDR efflux pump | Authors: | He, X, Szewczyk, P, Karyakin, A, Evin, M, Hong, W.-X, Zhang, Q, Chang, G. | Deposit date: | 2010-04-15 | Release date: | 2010-09-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.65 Å) | Cite: | Structure of a cation-bound multidrug and toxic compound extrusion transporter. Nature, 467, 2010
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3RVG
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![BU of 3rvg by Molmil](/molmil-images/mine/3rvg) | Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor | Descriptor: | 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Lim, J, Taoka, B, Otte, R.D, Spencer, K, Dinsmore, C.J, Altman, M.D, Chan, G, Rosenstein, C, Sharma, S, Su, H.P, Szewczak, A.A, Xu, L, Yin, H, Zugay-Murphy, J, Marshall, C.G, Young, J.R. | Deposit date: | 2011-05-06 | Release date: | 2012-03-21 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders. J.Med.Chem., 54, 2011
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1Q5P
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![BU of 1q5p by Molmil](/molmil-images/mine/1q5p) | S156E/S166D variant of Bacillus lentus subtilisin | Descriptor: | CALCIUM ION, SULFATE ION, Serine protease | Authors: | Bott, R.R, Chan, G, Domingo, B, Ganshaw, G, Hsia, C.Y, Knapp, M, Murray, C.J. | Deposit date: | 2003-08-08 | Release date: | 2003-11-11 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Do enzymes change the nature of transition states? Mapping the transition state for general acid-base catalysis of a serine protease Biochemistry, 42, 2003
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1LPV
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![BU of 1lpv by Molmil](/molmil-images/mine/1lpv) | DROSOPHILA MELANOGASTER DOUBLESEX (DSX), NMR, 18 STRUCTURES | Descriptor: | Doublesex protein, ZINC ION | Authors: | Zhu, L, Wilken, J, Phillips, N, Narendra, U, Chan, G, Stratton, S, Kent, S, Weiss, M.A. | Deposit date: | 2002-05-08 | Release date: | 2002-10-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Sexual dimorphism in diverse metazoans is regulated by a novel class of intertwined zinc fingers. Genes Dev., 14, 2000
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6OCE
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![BU of 6oce by Molmil](/molmil-images/mine/6oce) | Structure of the rice hyperosmolality-gated ion channel OSCA1.2 | Descriptor: | stress-gated cation channel 1.2 | Authors: | Maity, K, Heumann, J.M, McGrath, A.P, Chang, G, Stowell, M.H. | Deposit date: | 2019-03-23 | Release date: | 2019-07-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Cryo-EM structure of OSCA1.2 fromOryza sativaelucidates the mechanical basis of potential membrane hyperosmolality gating. Proc.Natl.Acad.Sci.USA, 116, 2019
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6MHE
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![BU of 6mhe by Molmil](/molmil-images/mine/6mhe) | Galphai3 co-crystallized with KB752 | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, ... | Authors: | Rees, S.D, Kalogriopoulos, N.A, Ngo, T, Kopcho, N, Ilatovskiy, A, Sun, N, Komives, E, Chang, G, Ghosh, P, Kufareva, I. | Deposit date: | 2018-09-17 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for GPCR-independent activation of heterotrimeric Gi proteins. Proc.Natl.Acad.Sci.USA, 116, 2019
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6MHF
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![BU of 6mhf by Molmil](/molmil-images/mine/6mhf) | Galphai3 co-crystallized with GIV/Girdin | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Girdin, ... | Authors: | Rees, S.D, Kalogriopoulos, N.A, Ngo, T, Kopcho, N, Ilatovskiy, A, Sun, N, Komives, E, Chang, G, Ghosh, P, Kufareva, I. | Deposit date: | 2018-09-17 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for GPCR-independent activation of heterotrimeric Gi proteins. Proc.Natl.Acad.Sci.USA, 116, 2019
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2MD0
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![BU of 2md0 by Molmil](/molmil-images/mine/2md0) | Solution structure of ShK-like immunomodulatory peptide from Ancylostoma caninum (hookworm) | Descriptor: | AcK1 | Authors: | Chhabra, S, Swarbrick, J.D, Mohanty, B, Chang, S.C, Chandy, G.K, Pennington, M.W, Norton, R.S. | Deposit date: | 2013-08-28 | Release date: | 2014-07-02 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases. Faseb J., 28, 2014
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6MRV
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![BU of 6mrv by Molmil](/molmil-images/mine/6mrv) | Sialidase26 co-crystallized with DANA | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase26 | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K. | Deposit date: | 2018-10-15 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates. Nat Microbiol, 4, 2019
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6MNJ
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![BU of 6mnj by Molmil](/molmil-images/mine/6mnj) | Hadza microbial sialidase Hz136 | Descriptor: | Hz136 | Authors: | Rees, S.D, Zaramela, L, Zengler, K, Chang, G. | Deposit date: | 2018-10-01 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates. Nat Microbiol, 4, 2019
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6MYV
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![BU of 6myv by Molmil](/molmil-images/mine/6myv) | Sialidase26 co-crystallized with DANA-Gc | Descriptor: | 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid, Sialidase26 | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Huang, J, Siegel, D, Chang, G, Varki, A, Zengler, K. | Deposit date: | 2018-11-02 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates. Nat Microbiol, 4, 2019
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6MRX
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![BU of 6mrx by Molmil](/molmil-images/mine/6mrx) | Sialidase26 apo | Descriptor: | Sialidase26 | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K. | Deposit date: | 2018-10-15 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates. Nat Microbiol, 4, 2019
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4XWK
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![BU of 4xwk by Molmil](/molmil-images/mine/4xwk) | P-glycoprotein co-crystallized with BDE-100 | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, Multidrug resistance protein 1A | Authors: | McGrath, A.P, Rees, S.D, Chang, G. | Deposit date: | 2015-01-28 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Global marine pollutants inhibit P-glycoprotein: Environmental levels, inhibitory effects, and cocrystal structure. Sci Adv, 2, 2016
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1LBG
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![BU of 1lbg by Molmil](/molmil-images/mine/1lbg) | LACTOSE OPERON REPRESSOR BOUND TO 21-BASE PAIR SYMMETRIC OPERATOR DNA, ALPHA CARBONS ONLY | Descriptor: | DNA (5'-D(*GP*AP*AP*TP*TP*GP*TP*GP*AP*GP*CP*GP*CP*TP*CP*AP*CP*AP*AP*TP*T)-3'), PROTEIN (LACTOSE OPERON REPRESSOR) | Authors: | Lewis, M, Chang, G, Horton, N.C, Kercher, M.A, Pace, H.C, Lu, P. | Deposit date: | 1996-01-03 | Release date: | 1996-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (4.8 Å) | Cite: | Crystal structure of the lactose operon repressor and its complexes with DNA and inducer. Science, 271, 1996
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7MHU
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![BU of 7mhu by Molmil](/molmil-images/mine/7mhu) | Sialidase24 apo | Descriptor: | Exo-alpha-sialidase | Authors: | Rees, S.D, Chang, G.A. | Deposit date: | 2021-04-15 | Release date: | 2022-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational models in the service of X-ray and cryo-electron microscopy structure determination. Proteins, 89, 2021
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1LBH
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![BU of 1lbh by Molmil](/molmil-images/mine/1lbh) | INTACT LACTOSE OPERON REPRESSOR WITH GRATUITOUS INDUCER IPTG | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, INTACT LACTOSE OPERON REPRESSOR WITH GRATUITOUS INDUCER IPTG | Authors: | Lewis, M, Chang, G, Horton, N.C, Kercher, M.A, Pace, H.C, Lu, P. | Deposit date: | 1996-02-17 | Release date: | 1996-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the lactose operon repressor and its complexes with DNA and inducer. Science, 271, 1996
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