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7AKV
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BU of 7akv by Molmil
The cryo-EM structure of the Vag8-C1 inhibitor complex
Descriptor: Plasma protease C1 inhibitor, Vag8
Authors:Johnson, S, Lea, S.M, Deme, J.C, Furlong, E, Dhillon, A.
Deposit date:2020-10-02
Release date:2021-06-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular Basis for Bordetella pertussis Interference with Complement, Coagulation, Fibrinolytic, and Contact Activation Systems: the Cryo-EM Structure of the Vag8-C1 Inhibitor Complex.
Mbio, 12, 2021
8Q7C
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BU of 8q7c by Molmil
Cryo-EM structure of Adenovirus C5 hexon
Descriptor: Hexon protein
Authors:Zoll, S, Dhillon, A.
Deposit date:2023-08-16
Release date:2023-08-30
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into the interaction between adenovirus C5 hexon and human lactoferrin.
J.Virol., 98, 2024
4USK
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BU of 4usk by Molmil
Unravelling the B. pseudomallei heptokinase WcbL: from Structure to Drug Discovery.
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, PUTATIVE SUGAR KINASE, ...
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-09
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
4UT4
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BU of 4ut4 by Molmil
Burkholderia pseudomallei heptokinase WcbL, D-mannose complex.
Descriptor: CHLORIDE ION, PUTATIVE SUGAR KINASE, alpha-D-mannopyranose
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-18
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
8QF2
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BU of 8qf2 by Molmil
Beta-L-Arabinofurano-cyclitol Aziridines are Cysteine-directed Broad-spectrum Inhibitors and Activity-based Probes for Retaining Beta-L-arabinofuranosidases
Descriptor: (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION
Authors:Borlandelli, V, Offen, W.A, Moroz, O, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H.
Deposit date:2023-09-02
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases.
Acs Chem.Biol., 18, 2023
8QF8
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BU of 8qf8 by Molmil
GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine
Descriptor: (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol, Glycosyl hydrolase, ...
Authors:Borlandelli, V, Offen, W, Moroz, O.V, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H.
Deposit date:2023-09-04
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases.
Acs Chem.Biol., 18, 2023
4USM
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BU of 4usm by Molmil
WcbL complex with glycerol bound to sugar site
Descriptor: CHLORIDE ION, GLYCEROL, PUTATIVE SUGAR KINASE
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-10
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
4UTG
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BU of 4utg by Molmil
Burkholderia pseudomallei heptokinase WcbL,AMPPNP (ATP analogue) complex.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-21
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
8RW3
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BU of 8rw3 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine
Descriptor: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ...
Authors:Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H.
Deposit date:2024-02-02
Release date:2024-05-15
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
6SXS
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BU of 6sxs by Molmil
GH54 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXT
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BU of 6sxt by Molmil
GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.466 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
6SXR
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BU of 6sxr by Molmil
E221Q mutant of GH54 a-l-arabinofuranosidase soaked with 4-nitrophenyl a-l-arabinofuranoside
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
2XCT
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BU of 2xct by Molmil
The twinned 3.35A structure of S. aureus Gyrase complex with Ciprofloxacin and DNA
Descriptor: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, 5'-D(AP*GP*CP*CP*GP*TP*AP*G)-3', 5'-D(GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3', ...
Authors:Bax, B.D, Chan, P, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
Deposit date:2010-04-25
Release date:2010-08-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
2XCS
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BU of 2xcs by Molmil
The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA
Descriptor: 5'-5UA*D(GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP *CP*TP*AP*CP*GP*GP*CP*T)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, DNA GYRASE SUBUNIT B, ...
Authors:Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
Deposit date:2010-04-25
Release date:2010-08-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
2XCR
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BU of 2xcr by Molmil
The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase complexed with GSK299423 and DNA
Descriptor: 5'-D(*5UA*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, ...
Authors:Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
Deposit date:2010-04-25
Release date:2010-08-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
8R0E
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BU of 8r0e by Molmil
p97 (VCP) mutant - F266A
Descriptor: Transitional endoplasmic reticulum ATPase
Authors:Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
Deposit date:2023-10-31
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:p97 (VCP) mutant - F266A
To Be Published
4XKH
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BU of 4xkh by Molmil
CRYSTAL STRUCTURE OF THE AIRAPL TANDEM UIMS IN COMPLEX WITH A LYS48-LINKED TRI-UBIQUITIN
Descriptor: AN1-type zinc finger protein 2B, Polyubiquitin-C
Authors:Rahighi, S, Kawasaki, M, Stanhill, A, Wakatsuki, S.
Deposit date:2015-01-11
Release date:2016-02-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Selective Binding of AIRAPL Tandem UIMs to Lys48-Linked Tri-Ubiquitin Chains.
Structure, 24, 2016
1QSK
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BU of 1qsk by Molmil
NMR-DERIVED SOLUTION STRUCTURE OF A FIVE-ADENINE BULGE LOOP WITHIN A DNA DUPLEX
Descriptor: 5'-D(CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*CP)-3', 5'-D(GP*CP*AP*TP*CP*GP*AP*AP*AP*AP*AP*GP*CP*TP*AP*CP*GP)-3'
Authors:Dornberger, U, Hillisch, A, Gollmick, F, Fritzsche, H, Diekmann, S.
Deposit date:1999-06-22
Release date:1999-11-05
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a five-adenine bulge loop within a DNA duplex.
Biochemistry, 38, 1999
8RS9
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BU of 8rs9 by Molmil
p97 (VCP) double mutant - F266A F539A
Descriptor: Transitional endoplasmic reticulum ATPase
Authors:Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
Deposit date:2024-01-24
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:p97 (VCP) double mutant - F266A F539A
To Be Published
8RSB
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BU of 8rsb by Molmil
p97 (VCP) mutant - F539A ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
Deposit date:2024-01-24
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:p97 (VCP) mutant - F539A ADP state
To Be Published
8RSC
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BU of 8rsc by Molmil
p97 (VCP) mutant - F539A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
Deposit date:2024-01-24
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:p97 (VCP) mutant - F539A
To Be Published
8PQX
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BU of 8pqx by Molmil
p97 (VCP) mutant - F539A state III
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
Deposit date:2023-07-12
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:p97 (VCP) mutant - F539A state III
To Be Published
2XCO
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BU of 2xco by Molmil
The 3.1A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase
Descriptor: CALCIUM ION, DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A
Authors:Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
Deposit date:2010-04-24
Release date:2010-08-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
2XCQ
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BU of 2xcq by Molmil
The 2.98A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase
Descriptor: DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A
Authors:Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N.
Deposit date:2010-04-24
Release date:2010-08-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
8AZK
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BU of 8azk by Molmil
Bovine 20S proteasome, untreated
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Szenkier, N, Arie, M, Matzov, D, Sertchook, R, Carmeli, R, Cascio, P, Stanhill, A, Shalev Benami, M, Navon, A.
Deposit date:2022-09-06
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Bovine 20S proteasome, untreated
To be published

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