5BQM
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![BU of 5bqm by Molmil](/molmil-images/mine/5bqm) | Crystal structure of SXN101959, a Clostridium botulinum neurotoxin type D derivative and targeted secretion inhibitor | Descriptor: | Botulinum neurotoxin type D, Somatoliberin,Botulinum neurotoxin type D, ZINC ION | Authors: | Masuyer, G, Davies, J.R, Moore, K, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2015-05-29 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural analysis of Clostridium botulinum neurotoxin type D as a platform for the development of targeted secretion inhibitors. Sci Rep, 5, 2015
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3ICR
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![BU of 3icr by Molmil](/molmil-images/mine/3icr) | Crystal structure of oxidized Bacillus anthracis CoADR-RHD | Descriptor: | COENZYME A, Coenzyme A-Disulfide Reductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Wallen, J.R, Claiborne, A. | Deposit date: | 2009-07-18 | Release date: | 2009-11-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and catalytic properties of Bacillus anthracis CoADR-RHD: implications for flavin-linked sulfur trafficking. Biochemistry, 48, 2009
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3IW8
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![BU of 3iw8 by Molmil](/molmil-images/mine/3iw8) | Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | Descriptor: | 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3O2X
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![BU of 3o2x by Molmil](/molmil-images/mine/3o2x) | MMP-13 in complex with selective tetrazole core inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Collagenase 3, ... | Authors: | Kiefer, J.R, Barta, T.E, Becker, D.P, Mathis, K.J, Williams, J. | Deposit date: | 2010-07-22 | Release date: | 2011-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | MMP-13 in complex with selective tetrazole core inhibitor To be Published
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3O8C
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![BU of 3o8c by Molmil](/molmil-images/mine/3o8c) | |
3O8D
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![BU of 3o8d by Molmil](/molmil-images/mine/3o8d) | |
3ICU
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![BU of 3icu by Molmil](/molmil-images/mine/3icu) | Protease-associated domain of the E3 ligase grail | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, E3 ubiquitin-protein ligase RNF128 | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-18 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | PA Domain of the E3 Ligase Grail To be Published
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3IBD
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![BU of 3ibd by Molmil](/molmil-images/mine/3ibd) | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R. | Deposit date: | 2009-07-15 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution. Mol.Pharmacol., 77, 2010
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3ICV
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![BU of 3icv by Molmil](/molmil-images/mine/3icv) | Structural Consequences of a Circular Permutation on Lipase B from Candida Antartica | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B | Authors: | Horton, J.R, Qian, Z, Jia, D, Lutz, S, Cheng, X. | Deposit date: | 2009-07-18 | Release date: | 2009-10-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation. J.Mol.Biol., 393, 2009
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5BNH
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![BU of 5bnh by Molmil](/molmil-images/mine/5bnh) | Crystal structure of the HLTF HIRAN domain with a ssDNA fragment | Descriptor: | ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ... | Authors: | Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S. | Deposit date: | 2015-05-26 | Release date: | 2016-05-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment To Be Published
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3NRU
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![BU of 3nru by Molmil](/molmil-images/mine/3nru) | Ligand binding domain of EPHA7 | Descriptor: | CHLORIDE ION, Ephrin receptor, SULFATE ION | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S. | Deposit date: | 2010-06-30 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ephrin A7 ligand binding domain To be Published
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5BX3
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![BU of 5bx3 by Molmil](/molmil-images/mine/5bx3) | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with deoxynojirimycin | Descriptor: | 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, CALCIUM ION, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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5BVU
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![BU of 5bvu by Molmil](/molmil-images/mine/5bvu) | Crystal structure of Thermoanaerobacterium xylolyticum GH116 beta-glucosidase | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-05 | Release date: | 2016-05-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2). Acs Chem.Biol., 11, 2016
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3O8B
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3IW7
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![BU of 3iw7 by Molmil](/molmil-images/mine/3iw7) | Human p38 MAP Kinase in Complex with an Imidazo-pyridine | Descriptor: | 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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5BX5
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![BU of 5bx5 by Molmil](/molmil-images/mine/5bx5) | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with glucose | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Hua, Y, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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3ICW
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![BU of 3icw by Molmil](/molmil-images/mine/3icw) | Structure of a Circular Permutation on Lipase B from Candida Antartica with Bound Suicide Inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B, PHOSPHATE ION, ... | Authors: | Horton, J.R, Qian, Z, Jia, D, Lutz, S.A, Cheng, X. | Deposit date: | 2009-07-18 | Release date: | 2009-10-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation. J.Mol.Biol., 393, 2009
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3ICT
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![BU of 3ict by Molmil](/molmil-images/mine/3ict) | Crystal structure of reduced Bacillus anthracis CoADR-RHD | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COENZYME A, Coenzyme A-Disulfide Reductase, ... | Authors: | Wallen, J.R, Claiborne, A. | Deposit date: | 2009-07-18 | Release date: | 2009-11-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and catalytic properties of Bacillus anthracis CoADR-RHD: implications for flavin-linked sulfur trafficking. Biochemistry, 48, 2009
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5BX4
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![BU of 5bx4 by Molmil](/molmil-images/mine/5bx4) | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with Glucoimidazole | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLUCOIMIDAZOLE, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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3NV0
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![BU of 3nv0 by Molmil](/molmil-images/mine/3nv0) | Crystal structure and mutational analysis of the NXF2/NXT1 heterodimeric complex from caenorhabditis elegans at 1.84 A resolution | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kerkow, D.E, Carmel, A.B, Williamson, J.R. | Deposit date: | 2010-07-07 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The structure of the NXF2/NXT1 heterodimeric complex reveals the combined specificity and versatility of the NTF2-like fold. J.Mol.Biol., 415, 2012
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3IV1
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![BU of 3iv1 by Molmil](/molmil-images/mine/3iv1) | Coiled-coil domain of tumor susceptibility gene 101 | Descriptor: | CHLORIDE ION, SULFATE ION, Tumor susceptibility gene 101 protein | Authors: | Neculai, D, Avvakumov, G.V, Wernimont, A.K, Xue, S, Walker, J.R, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-31 | Release date: | 2009-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Coiled-Coil Domain of Human Tsg101 To be Published
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3IYH
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![BU of 3iyh by Molmil](/molmil-images/mine/3iyh) | P22 procapsid coat protein structures reveal a novel mechanism for capsid maturation: Stability without auxiliary proteins or chemical cross-links | Descriptor: | Coat protein | Authors: | Parent, K.N, Khayat, R, Tu, L.H, Suhanovsky, M.M, Cortines, J.R, Teschke, C.M, Johnson, J.E, Baker, T.S. | Deposit date: | 2009-12-14 | Release date: | 2010-03-31 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | P22 coat protein structures reveal a novel mechanism for capsid maturation: stability without auxiliary proteins or chemical crosslinks Structure, 18, 2010
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5BX2
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![BU of 5bx2 by Molmil](/molmil-images/mine/5bx2) | Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with 2-deoxy-2-fluoroglucoside | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-fluoro-alpha-D-glucopyranose, CALCIUM ION, ... | Authors: | Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R. | Deposit date: | 2015-06-08 | Release date: | 2016-05-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2) Acs Chem.Biol., 11, 2016
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3O8R
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![BU of 3o8r by Molmil](/molmil-images/mine/3o8r) | |
3KCI
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![BU of 3kci by Molmil](/molmil-images/mine/3kci) | The third RLD domain of HERC2 | Descriptor: | Probable E3 ubiquitin-protein ligase HERC2 | Authors: | Walker, J.R, Qiu, L, Vesterberg, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S. | Deposit date: | 2009-10-21 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Third RLD Domain of Herc2 To be Published
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