8U01
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![BU of 8u01 by Molmil](/molmil-images/mine/8u01) | Crystal Structure of the Glycoside Hydrolase Family 2 TIM Barrel-domain Containing Protein from Phocaeicola plebeius | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Kim, Y, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2023-08-28 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of the Glycoside Hydrolase Family 2 TIM Barrel-domain
Containing Protein from Phocaeicola plebeius To Be Published
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8U12
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6RY0
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![BU of 6ry0 by Molmil](/molmil-images/mine/6ry0) | Crystal structure of Dfg5 from Chaetomium thermophilum | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Mannan endo-1,6-alpha-mannosidase, ... | Authors: | Essen, L.-O, Vogt, M.S. | Deposit date: | 2019-06-10 | Release date: | 2020-08-12 | Last modified: | 2020-09-16 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls. Proc.Natl.Acad.Sci.USA, 117, 2020
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6OZ2
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![BU of 6oz2 by Molmil](/molmil-images/mine/6oz2) | |
9FQH
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![BU of 9fqh by Molmil](/molmil-images/mine/9fqh) | E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1) | Descriptor: | 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2024-06-17 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design To be published
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9FQJ
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![BU of 9fqj by Molmil](/molmil-images/mine/9fqj) | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | Descriptor: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | Authors: | Schimpl, M. | Deposit date: | 2024-06-17 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.563 Å) | Cite: | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design To be published
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8UFM
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![BU of 8ufm by Molmil](/molmil-images/mine/8ufm) | Crystal Structure of L516C/Y647C Mutant of SARS-Unique Domain (SUD) from SARS-CoV-2 | Descriptor: | ACETATE ION, FORMIC ACID, Papain-like protease nsp3, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-10-04 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of L516C/Y647C Mutant of SARS-Unique Domain (SUD) from SARS-CoV-2 To Be Published
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8UFL
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![BU of 8ufl by Molmil](/molmil-images/mine/8ufl) | Crystal Structure of SARS-Unique Domain (SUD) of Nsp3 from SARS coronavirus | Descriptor: | CHLORIDE ION, Papain-like protease nsp3, SULFATE ION | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-10-04 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal Structure of SARS-Unique Domain (SUD) of Nsp3 from SARS coronavirus To Be Published
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4O1G
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![BU of 4o1g by Molmil](/molmil-images/mine/4o1g) | MTB adenosine kinase in complex with gamma-Thio-ATP | Descriptor: | Adenosine kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SODIUM ION | Authors: | Dostal, J, Brynda, J, Hocek, M, Pichova, I. | Deposit date: | 2013-12-15 | Release date: | 2014-11-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides J.Med.Chem., 57, 2014
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8UM3
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![BU of 8um3 by Molmil](/molmil-images/mine/8um3) | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 6-chlorotetrazolo[1,5-b]pyridazine, ... | Authors: | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-10-17 | Release date: | 2023-11-01 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | PanDDA analysis -- Crystal Structure of Zika virus NS3 Helicase in complex with Z203039992 To Be Published
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6XG4
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![BU of 6xg4 by Molmil](/molmil-images/mine/6xg4) | X-ray structure of Escherichia coli dihydrofolate reductase L28R mutant in complex with trimethoprim | Descriptor: | CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E. | Deposit date: | 2020-06-16 | Release date: | 2021-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A trimethoprim derivative impedes antibiotic resistance evolution. Nat Commun, 12, 2021
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6XG5
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![BU of 6xg5 by Molmil](/molmil-images/mine/6xg5) | X-ray structure of Escherichia coli dihydrofolate reductase in complex with trimethoprim | Descriptor: | CHLORIDE ION, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Gaszek, I.K, Manna, M.S, Borek, D, Toprak, E. | Deposit date: | 2020-06-16 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A trimethoprim derivative impedes antibiotic resistance evolution. Nat Commun, 12, 2021
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8ULM
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![BU of 8ulm by Molmil](/molmil-images/mine/8ulm) | |
6E29
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![BU of 6e29 by Molmil](/molmil-images/mine/6e29) | |
8U26
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![BU of 8u26 by Molmil](/molmil-images/mine/8u26) | |
6EK6
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![BU of 6ek6 by Molmil](/molmil-images/mine/6ek6) | Crystal structure of KDM5B in complex with S49195a. | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | Authors: | Srikannathasan, V, Szykowska, A, Newman, J.A, Ruda, G.F, Strain-Damerell, C, Burgess-Brown, N.A, Vazquez-Rodriguez, S, Wright, M, Brennan, P.E, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-25 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of KDM5B in complex with S49195a. To be published
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8U2C
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8U28
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8UGQ
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1TVM
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![BU of 1tvm by Molmil](/molmil-images/mine/1tvm) | NMR structure of enzyme GatB of the galactitol-specific phosphoenolpyruvate-dependent phosphotransferase system | Descriptor: | PTS system, galactitol-specific IIB component | Authors: | Volpon, L, Young, C.R, Lim, N.S, Iannuzzi, P, Cygler, M, Gehring, K, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2004-06-29 | Release date: | 2005-09-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of the enzyme GatB of the galactitol-specific phosphoenolpyruvate-dependent phosphotransferase system and its interaction with GatA. Protein Sci., 15, 2006
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6E8L
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![BU of 6e8l by Molmil](/molmil-images/mine/6e8l) | Crystal Structure of Alkyl hydroperoxidase D (AhpD) from Streptococcus pneumoniae (Strain D39/ NCTC 7466) | Descriptor: | Alkyl hydroperoxide reductase AhpD | Authors: | Meng, Y, Davies, J, North, R, Coombes, D, Horne, C, Hampton, M, Dobson, R. | Deposit date: | 2018-07-30 | Release date: | 2019-08-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-function analyses of alkylhydroperoxidase D fromStreptococcus pneumoniaereveal an unusual three-cysteine active site architecture. J.Biol.Chem., 295, 2020
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3AQF
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![BU of 3aqf by Molmil](/molmil-images/mine/3aqf) | Crystal structure of the human CRLR/RAMP2 extracellular complex | Descriptor: | Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 2 | Authors: | Kusano, S, Kukimono-Niino, M, Shirouzu, M, Shindo, T, Yokoyama, S. | Deposit date: | 2010-10-29 | Release date: | 2011-11-02 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for extracellular interactions between calcitonin receptor-like receptor and receptor activity-modifying protein 2 for adrenomedullin-specific binding Protein Sci., 21, 2012
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8V1P
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![BU of 8v1p by Molmil](/molmil-images/mine/8v1p) | CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092 | Descriptor: | Glucose-induced degradation protein 4 homolog, N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide | Authors: | Dong, C, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-21 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092 To be published
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8QHM
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![BU of 8qhm by Molmil](/molmil-images/mine/8qhm) | DNA mimic Foldamer with sticky ends | Descriptor: | DNA mimic Foldamer | Authors: | Deepak, D, Loos, M, Huc, I. | Deposit date: | 2023-09-08 | Release date: | 2023-10-11 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Enhancing the Features of DNA Mimic Foldamers for Structural Investigations. Chemistry, 30, 2024
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7V7M
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![BU of 7v7m by Molmil](/molmil-images/mine/7v7m) | crystal structure of SARS-CoV-2 3CL protease | Descriptor: | 3C-like proteinase | Authors: | Yi, Y, Zhang, M, Ye, M. | Deposit date: | 2021-08-21 | Release date: | 2022-06-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19. Acta Pharm Sin B, 12, 2022
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