4NXO
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![BU of 4nxo by Molmil](/molmil-images/mine/4nxo) | Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768 | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Liang, W.G, Deprez, R, Deprez, B, Tang, W. | Deposit date: | 2013-12-09 | Release date: | 2015-10-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice. Nat Commun, 6, 2015
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3WAX
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![BU of 3wax by Molmil](/molmil-images/mine/3wax) | Crystal Structure of Autotaxin in Complex with 3BoA | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2013-05-09 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe Acs Chem.Biol., 8, 2013
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3WG3
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![BU of 3wg3 by Molmil](/molmil-images/mine/3wg3) | Crystal structure of Agrocybe cylindracea galectin with blood type A antigen tetraose | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, ... | Authors: | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | Deposit date: | 2013-07-25 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity. Febs Lett., 587, 2013
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6H88
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![BU of 6h88 by Molmil](/molmil-images/mine/6h88) | MamM CTD D249N | Descriptor: | BETA-MERCAPTOETHANOL, Magnetosome protein MamM, Cation efflux protein family | Authors: | Barber-Zucker, S, Zarivach, R. | Deposit date: | 2018-08-02 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | MamM CTD D249N To Be Published
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3WGD
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![BU of 3wgd by Molmil](/molmil-images/mine/3wgd) | Crystal structure of ERp46 Trx1 | Descriptor: | GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Inaba, K, Suzuki, M, Kojima, R. | Deposit date: | 2013-08-04 | Release date: | 2014-06-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Radically different thioredoxin domain arrangement of ERp46, an efficient disulfide bond introducer of the mammalian PDI family Structure, 22, 2014
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3WGX
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![BU of 3wgx by Molmil](/molmil-images/mine/3wgx) | Crystal structure of ERp46 Trx2 in a complex with Prx4 C-term | Descriptor: | GLYCEROL, Peroxiredoxin-4, Thioredoxin domain-containing protein 5 | Authors: | Inaba, K, Suzuki, M, Kojima, R. | Deposit date: | 2013-08-13 | Release date: | 2014-06-25 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Radically different thioredoxin domain arrangement of ERp46, an efficient disulfide bond introducer of the mammalian PDI family Structure, 22, 2014
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3WD7
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![BU of 3wd7 by Molmil](/molmil-images/mine/3wd7) | Type III polyketide synthase | Descriptor: | COENZYME A, NICKEL (II) ION, SULFATE ION, ... | Authors: | Mori, T, Shimokawa, Y, Matsui, T, Kato, R, Sugio, S, Morita, H, Abe, I. | Deposit date: | 2013-06-10 | Release date: | 2013-09-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Cloning, characterization, and crystal structure analysis of novel type III polyketide synthases from Citrus microcarpa To be Published
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3WIV
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1RTH
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![BU of 1rth by Molmil](/molmil-images/mine/1rth) | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | Descriptor: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | Deposit date: | 1995-05-03 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes. Nat.Struct.Biol., 2, 1995
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6H8F
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![BU of 6h8f by Molmil](/molmil-images/mine/6h8f) | Fragment of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | Descriptor: | TssA | Authors: | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | Deposit date: | 2018-08-02 | Release date: | 2018-11-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural insights into the function of type VI secretion system TssA subunits. Nat Commun, 9, 2018
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6H8G
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![BU of 6h8g by Molmil](/molmil-images/mine/6h8g) | MamM CTD H264E - Cadmium form 1 | Descriptor: | BETA-MERCAPTOETHANOL, CADMIUM ION, Magnetosome protein MamM, ... | Authors: | Barber-Zucker, S, Zarivach, R. | Deposit date: | 2018-08-02 | Release date: | 2019-08-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | MamM CTD H264E - Cadmium form 1 To Be Published
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3WMP
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![BU of 3wmp by Molmil](/molmil-images/mine/3wmp) | Crystal structure of SLL-2 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kita, A, Jimbo, M, Sakai, R, Morimoto, Y, Miki, K. | Deposit date: | 2013-11-22 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a symbiosis-related lectin from octocoral. Glycobiology, 25, 2015
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1RYX
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![BU of 1ryx by Molmil](/molmil-images/mine/1ryx) | |
6HJK
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![BU of 6hjk by Molmil](/molmil-images/mine/6hjk) | Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2 | Descriptor: | (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide, Aurora kinase A, CHLORIDE ION, ... | Authors: | Bayliss, R, McIntyre, P.J. | Deposit date: | 2018-09-04 | Release date: | 2018-10-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases. ACS Chem. Biol., 13, 2018
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4NR7
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![BU of 4nr7 by Molmil](/molmil-images/mine/4nr7) | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, CREB-binding protein | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Krojer, T, Nowak, R, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand To be Published
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6HJX
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![BU of 6hjx by Molmil](/molmil-images/mine/6hjx) | X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) 7'C pore mutant (L238C) in complex with nanobody 72 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cys-loop ligand-gated ion channel, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Spurny, R, Govaerts, C, Evans, G.L, Pardon, E, Steyaert, J, Ulens, C. | Deposit date: | 2018-09-04 | Release date: | 2019-10-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A lipid site shapes the agonist response of a pentameric ligand-gated ion channel. Nat.Chem.Biol., 15, 2019
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6HKN
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![BU of 6hkn by Molmil](/molmil-images/mine/6hkn) | Crystal structure of Compound 35 with ERK5 | Descriptor: | Mitogen-activated protein kinase 7, [2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone | Authors: | Nguyen, D, Lemos, C, Wortmann, L, Eis, K, Holton, S.J, Boemer, U, Lechner, C, Prechtl, S, Suelze, D, Siegel, F, Prinz, F, Lesche, R, Nicke, B, Mumberg, D, Bauser, M, Haegebarth, A. | Deposit date: | 2018-09-07 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5. J. Med. Chem., 62, 2019
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1S3H
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![BU of 1s3h by Molmil](/molmil-images/mine/1s3h) | Propionibacterium shermanii transcarboxylase 5S subunit A59T | Descriptor: | COBALT (II) ION, transcarboxylase 5S subunit | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | Deposit date: | 2004-01-13 | Release date: | 2004-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit. Embo J., 23, 2004
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3WAP
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![BU of 3wap by Molmil](/molmil-images/mine/3wap) | Crystal structure of Atg13 LIR-fused human LC3C_8-125 | Descriptor: | Autophagy-related protein 13, Microtubule-associated proteins 1A/1B light chain 3C | Authors: | Suzuki, H, Tabata, K, Morita, E, Kawasaki, M, Kato, R, Dobson, R.C.J, Yoshimori, T, Wakatsuki, S. | Deposit date: | 2013-05-06 | Release date: | 2013-12-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis of the autophagy-related LC3/Atg13 LIR complex: recognition and interaction mechanism. Structure, 22, 2014
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3WAV
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![BU of 3wav by Molmil](/molmil-images/mine/3wav) | Crystal Structure of Autotaxin in Complex with Compound 10 | Descriptor: | (5Z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | Deposit date: | 2013-05-09 | Release date: | 2013-07-31 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe Acs Chem.Biol., 8, 2013
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6HNX
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![BU of 6hnx by Molmil](/molmil-images/mine/6hnx) | |
6HO1
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![BU of 6ho1 by Molmil](/molmil-images/mine/6ho1) | |
6HO5
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![BU of 6ho5 by Molmil](/molmil-images/mine/6ho5) | |
3WNQ
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![BU of 3wnq by Molmil](/molmil-images/mine/3wnq) | Crystal structure of (R)-carbonyl reductase H49A mutant from Candida Parapsilosis in complex with 2-hydroxyacetophenone | Descriptor: | (R)-specific carbonyl reductase, 2-hydroxy-1-phenylethanone, ZINC ION | Authors: | Wang, S.S, Nie, Y, Xu, Y, Zhang, R.Z, Huang, C.H, Chan, H.C, Guo, R.T, Ko, T.P, Xiao, R. | Deposit date: | 2013-12-15 | Release date: | 2014-07-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Unconserved substrate-binding sites direct the stereoselectivity of medium-chain alcohol dehydrogenase Chem.Commun.(Camb.), 50, 2014
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6HOG
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![BU of 6hog by Molmil](/molmil-images/mine/6hog) | Structure of VPS34 LIR motif bound to GABARAP | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3,Gamma-aminobutyric acid receptor-associated protein, ... | Authors: | Mouilleron, S, Birgisdottir, A.B, Bhujbal, Z, Wirth, M, Sjottem, E, Evjen, G, Zhang, W, Lee, R, O'Reilly, N, Tooze, S, Lamark, T, Johansen, T. | Deposit date: | 2018-09-17 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Members of the autophagy class III phosphatidylinositol 3-kinase complex I interact with GABARAP and GABARAPL1 via LIR motifs. Autophagy, 15, 2019
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