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7RFX
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BU of 7rfx by Molmil
Importin alpha2 in complex with MERS ORF4B
Descriptor: Importin subunit alpha-1, ORF4b
Authors:Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K.
Deposit date:2021-07-14
Release date:2021-07-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
6QUT
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BU of 6qut by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-28
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QUU
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BU of 6quu by Molmil
Crystal Structure of KRAS-G12D in complex with GMP-PCP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
Deposit date:2019-02-28
Release date:2019-07-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.477 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
7RFZ
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BU of 7rfz by Molmil
Importin alpha 2 in complex with MERS ORF4B NLS peptide
Descriptor: Importin subunit alpha-1, ORF4b
Authors:Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K.
Deposit date:2021-07-14
Release date:2021-07-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
7R7S
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BU of 7r7s by Molmil
p47-bound p97-R155H mutant with ATPgammaS
Descriptor: NSFL1 cofactor p47, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L.
Deposit date:2021-06-25
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes.
Int J Mol Sci, 22, 2021
7RH8
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BU of 7rh8 by Molmil
Crystal structure of Fur1p from Candida albicans, in complex with UTP
Descriptor: URIDINE 5'-TRIPHOSPHATE, Uracil phosphoribosyltransferase
Authors:Stogios, P.J, Skarina, T, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-16
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal structure of Fur1p from Candida albicans, in complex with UTP
To Be Published
6QVJ
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BU of 6qvj by Molmil
HsCKK (human CAMSAP1) decorated 14pf taxol-GDP microtubule
Descriptor: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
Deposit date:2019-03-02
Release date:2019-11-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019
7RJ1
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BU of 7rj1 by Molmil
Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chorismate mutase, ...
Authors:Stogios, P.J, Evdokimova, E, Tan, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-20
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp
To Be Published
6QW2
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BU of 6qw2 by Molmil
The Transcriptional Regulator PrfA-A218G mutant from Listeria Monocytogenes
Descriptor: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION
Authors:Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E.
Deposit date:2019-03-05
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
6QNW
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BU of 6qnw by Molmil
Influenza A Polymerase Heterotrimer Human H3N2 Northern Territory 1968
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
Authors:Keown, J.R, Fan, H, Grimes, J.M.
Deposit date:2019-02-12
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
6QWB
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BU of 6qwb by Molmil
Crystal structure of KPC-4 complexed with relebactam (16 hour soak)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Beta-lactamase, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
7RK8
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BU of 7rk8 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 9 with Engineered Peptide Domain PHP.B (AAV9-PHP.B)
Descriptor: Capsid protein VP1
Authors:Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2021-07-22
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
6QZ2
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BU of 6qz2 by Molmil
Structure of MHETase from Ideonella sakaiensis
Descriptor: CALCIUM ION, Mono(2-hydroxyethyl) terephthalate hydrolase
Authors:Allen, M.D, Johnson, C.W, Knott, B.C, Beckham, G.T, McGeehan, J.E.
Deposit date:2019-03-10
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization and engineering of a two-enzyme system for plastics depolymerization.
Proc.Natl.Acad.Sci.USA, 117, 2020
7R7T
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BU of 7r7t by Molmil
p47-bound p97-R155H mutant with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NSFL1 cofactor p47, Transitional endoplasmic reticulum ATPase
Authors:Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L.
Deposit date:2021-06-25
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes.
Int J Mol Sci, 22, 2021
7R9J
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BU of 7r9j by Molmil
Methanococcus maripaludis chaperonin, open conformation 4
Descriptor: Chaperonin
Authors:Zhao, Y, Schmid, M, Frydman, J, Chiu, W.
Deposit date:2021-06-29
Release date:2021-08-11
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:CryoEM reveals the stochastic nature of individual ATP binding events in a group II chaperonin.
Nat Commun, 12, 2021
4FDP
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BU of 4fdp by Molmil
Mycobacterium tuberculosis DprE1 - monoclinic crystal form
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, oxidoreductase DprE1
Authors:Batt, S.M, Besra, G.S, Futterer, K.
Deposit date:2012-05-29
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
7RA4
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BU of 7ra4 by Molmil
Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE) in complex with serine
Descriptor: SERINE, Serine acetyltransferase
Authors:Hicks, J.L, Oldham, K.E, Prentice, E.J, Summers, E.L.
Deposit date:2021-06-30
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Serine acetyltransferase from Neisseria gonorrhoeae; structural and biochemical basis of inhibition.
Biochem.J., 479, 2022
6QLV
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BU of 6qlv by Molmil
Crystal structure of W200H UbiX in complex with a geranyl-FMN N5 adduct
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2019-02-01
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.391 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
4FDN
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BU of 4fdn by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT325 - hexagonal crystal form
Descriptor: 3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
Authors:Batt, S.M, Besra, G.S, Futterer, K.
Deposit date:2012-05-29
Release date:2012-07-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
7RLL
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BU of 7rll by Molmil
Crystal structure of ARF3 from Candida albicans in complex with guanosine-3'-monophosphate-5'-diphosphate
Descriptor: Arf3p, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Stogios, P.J, Michalska, K, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-07-25
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of ARF3 from Candida albicans in complex with guanosine-3'-monophosphate-5'-diphosphate
To Be Published
5KH9
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BU of 5kh9 by Molmil
Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, FORMIC ACID, Histone deacetylase 6, ...
Authors:Harding, R.J, Tempel, W, Ravichandran, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2016-06-14
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
6QN2
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BU of 6qn2 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-08
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
7R9I
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BU of 7r9i by Molmil
Methanococcus maripaludis chaperonin, open conformation 2
Descriptor: Chaperonin
Authors:Zhao, Y, Schmid, M, Frydman, J, Chiu, W.
Deposit date:2021-06-29
Release date:2021-08-11
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:CryoEM reveals the stochastic nature of individual ATP binding events in a group II chaperonin.
Nat Commun, 12, 2021
7R9K
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BU of 7r9k by Molmil
Methanococcus maripaludis chaperonin, closed conformation 4
Descriptor: Chaperonin
Authors:Zhao, Y, Schmid, M, Frydman, J, Chiu, W.
Deposit date:2021-06-29
Release date:2021-08-11
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:CryoEM reveals the stochastic nature of individual ATP binding events in a group II chaperonin.
Nat Commun, 12, 2021
6QRQ
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BU of 6qrq by Molmil
Apo conformation of chemotaxis sensor ODP
Descriptor: Oxygen-binding diiron protein
Authors:Muok, A.R, Crane, B.R.
Deposit date:2019-02-19
Release date:2019-06-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.562 Å)
Cite:A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species.
Proc.Natl.Acad.Sci.USA, 116, 2019

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