1GJQ
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![BU of 1gjq by Molmil](/molmil-images/mine/1gjq) | Pseudomonas aeruginosa cd1 nitrite reductase reduced cyanide complex | Descriptor: | CYANIDE ION, HEME C, HEME D, ... | Authors: | Nurizzo, D, Brown, K, Tegoni, M, Cambillau, C. | Deposit date: | 2001-08-01 | Release date: | 2002-08-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cyanide Binding to Cd(1) Nitrite Reductase from Pseudomonas Aeruginosa: Role of the Active-Site His369 in Ligand Stabilization. Biochem.Biophys.Res.Commun., 291, 2002
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8FN7
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![BU of 8fn7 by Molmil](/molmil-images/mine/8fn7) | Structure of WT HIV-1 intasome bound to Dolutegravir | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNH
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![BU of 8fnh by Molmil](/molmil-images/mine/8fnh) | Structure of Q148K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNL
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![BU of 8fnl by Molmil](/molmil-images/mine/8fnl) | Structure of E138K/Q148K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNP
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![BU of 8fnp by Molmil](/molmil-images/mine/8fnp) | Structure of E138K/G140S/Q148H HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-28 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FA3
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![BU of 8fa3 by Molmil](/molmil-images/mine/8fa3) | |
8FNG
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![BU of 8fng by Molmil](/molmil-images/mine/8fng) | Structure of E138K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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6ZG0
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![BU of 6zg0 by Molmil](/molmil-images/mine/6zg0) | SARM1 SAM1-2 domains | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y. | Deposit date: | 2020-06-18 | Release date: | 2020-11-11 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress. Elife, 9, 2020
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1GL4
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![BU of 1gl4 by Molmil](/molmil-images/mine/1gl4) | Nidogen-1 G2/Perlecan IG3 Complex | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BASEMENT MEMBRANE-SPECIFIC HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN, NIDOGEN-1, ... | Authors: | Kvansakul, M, Hopf, M, Ries, A, Timpl, R, Hohenester, E. | Deposit date: | 2001-08-23 | Release date: | 2001-11-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the High-Affinity Interaction of Nidogen-1 with Immunoglobulin-Like Domain 3 of Perlecan Embo J., 20, 2001
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8FNM
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![BU of 8fnm by Molmil](/molmil-images/mine/8fnm) | Structure of G140A/Q148K HIV-1 intasome with Dolutegravir bound | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-27 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8FNQ
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![BU of 8fnq by Molmil](/molmil-images/mine/8fnq) | Structure of E138K/G140A/Q148K HIV-1 intasome with 4d bound | Descriptor: | 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide, DNA (25-MER), DNA (27-MER), ... | Authors: | Shan, Z.L, Passos, D.O, Strutzenberg, T.S, Li, M, Lyumkis, D. | Deposit date: | 2022-12-28 | Release date: | 2023-08-09 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanisms of HIV-1 integrase resistance to dolutegravir and potent inhibition of drug-resistant variants. Sci Adv, 9, 2023
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8QNI
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![BU of 8qni by Molmil](/molmil-images/mine/8qni) | |
8QNG
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![BU of 8qng by Molmil](/molmil-images/mine/8qng) | |
8QNH
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![BU of 8qnh by Molmil](/molmil-images/mine/8qnh) | Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | Descriptor: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2023-09-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity. Acs Med.Chem.Lett., 14, 2023
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1GON
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![BU of 1gon by Molmil](/molmil-images/mine/1gon) | b-glucosidase from Streptomyces sp | Descriptor: | BETA-GLUCOSIDASE, MERCURY (II) ION, SULFATE ION | Authors: | Guasch, A, Perez-Pons, J.A, Vallmitjana, M, Querol, E, Coll, M. | Deposit date: | 2001-10-22 | Release date: | 2002-11-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of a Family 1 Beta-Glucosidase from Streptomyces To be Published
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1GNX
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![BU of 1gnx by Molmil](/molmil-images/mine/1gnx) | b-glucosidase from Streptomyces sp | Descriptor: | BETA-GLUCOSIDASE, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Guasch, A, Perez-Pons, J.A, Vallmitjana, M, Querol, E, Coll, M. | Deposit date: | 2001-10-10 | Release date: | 2002-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Beta-Glucosidase from Streptomyces To be Published
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8HM2
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![BU of 8hm2 by Molmil](/molmil-images/mine/8hm2) | |
8HM1
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![BU of 8hm1 by Molmil](/molmil-images/mine/8hm1) | |
5JA7
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![BU of 5ja7 by Molmil](/molmil-images/mine/5ja7) | Human cathepsin K mutant C25S in complex with the allosteric effector NSC94914 | Descriptor: | ACETATE ION, Cathepsin K, GLYCEROL, ... | Authors: | Novinec, M, Korenc, M, Lenarcic, B. | Deposit date: | 2016-04-12 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | An allosteric site enables fine-tuning of cathepsin K by diverse effectors. FEBS Lett., 590, 2016
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6OHK
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![BU of 6ohk by Molmil](/molmil-images/mine/6ohk) | |
8HVA
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![BU of 8hva by Molmil](/molmil-images/mine/8hva) | |
7NT3
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![BU of 7nt3 by Molmil](/molmil-images/mine/7nt3) | Crystal structure of SARS CoV2 main protease in complex with FSCU015 | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.325 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NTV
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![BU of 7ntv by Molmil](/molmil-images/mine/7ntv) | Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map) | Descriptor: | 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | Deposit date: | 2021-03-10 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.065 Å) | Cite: | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60, 2021
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6NB7
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![BU of 6nb7 by Molmil](/molmil-images/mine/6nb7) | SARS-CoV complex with human neutralizing S230 antibody Fab fragment (state 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S230 heavy chain, ... | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2018-12-06 | Release date: | 2019-02-06 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion. Cell, 176, 2019
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6NB4
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![BU of 6nb4 by Molmil](/molmil-images/mine/6nb4) | MERS-CoV S complex with human neutralizing LCA60 antibody Fab fragment (state 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCA60 heavy chain, ... | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2018-12-06 | Release date: | 2019-02-06 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion. Cell, 176, 2019
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