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5VQE
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BU of 5vqe by Molmil
Beta-glucoside phosphorylase BglX bound to 2FGlc
Descriptor: 2-deoxy-2-fluoro-alpha-D-glucopyranose, Beta-glucoside phosphorylase BglX
Authors:Patel, A, Mark, B.L.
Deposit date:2017-05-08
Release date:2018-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.889 Å)
Cite:Structural and mechanistic analysis of a beta-glycoside phosphorylase identified by screening a metagenomic library.
J. Biol. Chem., 293, 2018
5VQD
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BU of 5vqd by Molmil
Beta-glucoside phosphorylase BglX
Descriptor: Beta-glucoside phosphorylase BglX, GLYCEROL
Authors:Patel, A, Mark, B.L.
Deposit date:2017-05-08
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and mechanistic analysis of a beta-glycoside phosphorylase identified by screening a metagenomic library.
J. Biol. Chem., 293, 2018
8A24
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BU of 8a24 by Molmil
Lysophospholipase PlaA from Legionella pneumophila str. Corby - iodide soak
Descriptor: IODIDE ION, Lysophospholipase A
Authors:Diwo, M.G, Blankenfeldt, W.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
8A25
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BU of 8a25 by Molmil
Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with PEG fragment
Descriptor: (R,R)-2,3-BUTANEDIOL, IODIDE ION, Lysophospholipase A, ...
Authors:Diwo, M.G, Blankenfeldt, W.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
8A26
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BU of 8a26 by Molmil
Lysophospholipase PlaA from Legionella pneumophila str. Corby - complex with palmitate
Descriptor: (R,R)-2,3-BUTANEDIOL, Lysophospholipase A, MALONIC ACID, ...
Authors:Diwo, M.G, Blankenfeldt, W.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-function relationships underpin disulfide loop cleavage-dependent activation of Legionella pneumophila lysophospholipase A PlaA.
Mol.Microbiol., 121, 2024
5FHX
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BU of 5fhx by Molmil
CRYSTAL STRUCTURE OF CODV IN COMPLEX WITH IL4 AT 2.55 Ang. RESOLUTION.
Descriptor: Antibody fragment light chain, Interleukin-4, PHOSPHATE ION, ...
Authors:Vallee, F, Dupuy, A, Rak, A.
Deposit date:2015-12-22
Release date:2016-03-30
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications.
Mabs, 8, 2016
5HCG
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BU of 5hcg by Molmil
CRYSTAL STRUCTURE OF FREE-CODV.
Descriptor: CODV heavy-chain, CODV light chain
Authors:Vallee, F, Dupuy, A, Rak, A.
Deposit date:2016-01-04
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications.
Mabs, 8, 2016
5WHZ
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BU of 5whz by Molmil
PGDM1400-10E8v4 CODV Fab
Descriptor: Anti-HIV CODV-Fab Heavy chain, Anti-HIV CODV-Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2017-07-18
Release date:2017-10-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.549 Å)
Cite:Trispecific broadly neutralizing HIV antibodies mediate potent SHIV protection in macaques.
Science, 358, 2017
1OX4
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BU of 1ox4 by Molmil
TOWARDS UNDERSTANDING THE MECHANISM OF THE COMPLEX CYCLIZATION REACTION CATALYZED BY IMIDAZOLE GLYCEROPHOSPHATE SYNTHASE
Descriptor: Imidazole glycerol phosphate synthase hisHF, NICKEL (II) ION, PYROPHOSPHATE 2-, ...
Authors:Chaudhuri, B.N, Smith, J.L.
Deposit date:2003-04-01
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Towards Understanding the Mechanism of the Complex Cyclization Reaction Catalyzed by Imidazole Glycerophosphate Synthase: Crystal Structures of a Ternary Complex and the Free Enzyme
Biochemistry, 42, 2003
7B4S
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BU of 7b4s by Molmil
Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and compound 153786 from the NCI Open Database
Descriptor: 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione, COENZYME A, MANGANESE (II) ION, ...
Authors:Maveyraud, L, Carivenc, C, Mourey, L.
Deposit date:2020-12-02
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
7BDW
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BU of 7bdw by Molmil
Crystal structure of mycobacterial PptAb in complex with ACP and compound 8918
Descriptor: COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ...
Authors:Carivenc, C, Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2020-12-22
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
7BCZ
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BU of 7bcz by Molmil
Structure of the 4'-phosphopantetheinyl transferase PcpS from Pseudomonas aeruginosa
Descriptor: 4'-phosphopantetheinyl transferase EntD, COENZYME A, MAGNESIUM ION, ...
Authors:Carivenc, C, Mourey, L, Pedelacq, J.D.
Deposit date:2020-12-21
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds.
Sci Rep, 11, 2021
4J93
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BU of 4j93 by Molmil
Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BI-1
Descriptor: (4S)-3-phenyl-4-(pyridin-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein
Authors:Lemke, C.T.
Deposit date:2013-02-15
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of Novel Small-Molecule HIV-1 Replication Inhibitors That Stabilize Capsid Complexes.
Antimicrob.Agents Chemother., 57, 2013
8CX0
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BU of 8cx0 by Molmil
Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC monomeric complex
Descriptor: Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ...
Authors:Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D.
Deposit date:2022-05-19
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:The structural basis for HIV-1 Vif antagonism of human APOBEC3G.
Nature, 615, 2023
8CX2
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BU of 8cx2 by Molmil
Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC dimeric complex in State 2
Descriptor: Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ...
Authors:Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D.
Deposit date:2022-05-19
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The structural basis for HIV-1 Vif antagonism of human APOBEC3G.
Nature, 615, 2023
8CX1
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BU of 8cx1 by Molmil
Cryo-EM structure of human APOBEC3G/HIV-1 Vif/CBFbeta/ELOB/ELOC dimeric complex in State 1
Descriptor: Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3G, Elongin-B, ...
Authors:Li, Y, Langley, C, Azumaya, C.M, Echeverria, I, Chesarino, N.M, Emerman, M, Cheng, Y, Gross, J.D.
Deposit date:2022-05-19
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The structural basis for HIV-1 Vif antagonism of human APOBEC3G.
Nature, 615, 2023
8C03
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BU of 8c03 by Molmil
Structure of SLC40/ferroportin in complex with vamifeport and synthetic nanobody Sy12 in outward-facing conformation
Descriptor: 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide, Solute carrier family 40 member 1
Authors:Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C.
Deposit date:2022-12-15
Release date:2023-03-22
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
8BZY
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BU of 8bzy by Molmil
Structure of SLC40/ferroportin in complex with vamifeport and synthetic nanobody Sy3 in occluded conformation
Descriptor: 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide, DIUNDECYL PHOSPHATIDYL CHOLINE, Solute carrier family 40 member 1, ...
Authors:Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C.
Deposit date:2022-12-15
Release date:2023-03-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
8C02
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BU of 8c02 by Molmil
Structure of SLC40/ferroportin in complex with synthetic nanobody Sy3 in occluded conformation
Descriptor: Solute carrier family 40 member 1, Sybody3
Authors:Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C.
Deposit date:2022-12-15
Release date:2023-03-22
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (4.09 Å)
Cite:Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
7K7Q
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BU of 7k7q by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2020-09-23
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
7K7O
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BU of 7k7o by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2020-09-23
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
3FZZ
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BU of 3fzz by Molmil
Structure of GrC
Descriptor: Granzyme C, SULFATE ION
Authors:Buckle, A.M, Kaiserman, D, Whisstock, J.C.
Deposit date:2009-01-27
Release date:2009-03-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of granzyme C reveals an unusual mechanism of protease autoinhibition
Proc.Natl.Acad.Sci.USA, 106, 2009
2JTX
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BU of 2jtx by Molmil
NMR structure of the TFIIE-alpha carboxyl terminus
Descriptor: Transcription initiation factor IIE subunit alpha
Authors:Di Lello, P, Omichinski, J.G.
Deposit date:2007-08-08
Release date:2007-12-11
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:p53 and TFIIEalpha share a common binding site on the Tfb1/p62 subunit of TFIIH.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5VM7
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BU of 5vm7 by Molmil
Pseudo-atomic model of the MurA-A2 complex
Descriptor: Maturation protein A2, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
Authors:Cui, Z, Zhang, J.
Deposit date:2017-04-26
Release date:2017-10-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structures of Q beta virions, virus-like particles, and the Q beta-MurA complex reveal internal coat proteins and the mechanism of host lysis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6OAT
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BU of 6oat by Molmil
Structure of the Ganjam virus OTU bound to sheep ISG15
Descriptor: Interferon stimulated gene 17, RNA-dependent RNA polymerase, prop-2-en-1-amine
Authors:Dzimianski, J.V, Williams, I.L, Pegan, S.D.
Deposit date:2019-03-18
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Determining the molecular drivers of species-specific interferon-stimulated gene product 15 interactions with nairovirus ovarian tumor domain proteases.
Plos One, 14, 2019

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