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8D2T
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BU of 8d2t by Molmil
Zebrafish MFSD2A isoform B in inward open ligand-free conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
8D2V
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BU of 8d2v by Molmil
Zebrafish MFSD2A isoform B in inward open ligand 1B conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
8D2W
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BU of 8d2w by Molmil
Zebrafish MFSD2A isoform B in inward open ligand 2B conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
8D2S
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BU of 8d2s by Molmil
Zebrafish MFSD2A isoform B in inward open ligand bound conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
8D2X
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BU of 8d2x by Molmil
Zebrafish MFSD2A isoform B in inward open ligand 3C conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
8D2U
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BU of 8d2u by Molmil
Zebrafish MFSD2A isoform B in inward open ligand 1A conformation
Descriptor: DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ...
Authors:Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T.
Deposit date:2022-05-30
Release date:2023-05-10
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
4KEH
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BU of 4keh by Molmil
Crosslinked Crystal Structure of Type II Fatty Synthase Dehydratase, FabA, and Acyl Carrier Protein, AcpP
Descriptor: Acyl carrier protein, N-{3-[DIHYDROXY(NONYL)-LAMBDA~4~-SULFANYL]PROPYL}-N~3~-[(2R)-2-HYDROXY-3,3-DIMETHYL-4-(PHOSPHONOOXY)BUTANOYL]-BETA-ALANINAMIDE, N-{3-[dihydroxy(nonyl)-lambda~4~-sulfanyl]propyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Authors:Nguyen, C, Haushalter, R, Finzel, K, Leong, J, Le, B.C, Burkart, M, Tsai, S.C.
Deposit date:2013-04-25
Release date:2013-12-25
Last modified:2014-01-29
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Trapping the dynamic acyl carrier protein in fatty acid biosynthesis.
Nature, 505, 2014
1VYQ
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BU of 1vyq by Molmil
Novel inhibitors of Plasmodium Falciparum dUTPase provide a platform for anti-malarial drug design
Descriptor: 2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE
Authors:Whittingham, J.L, Leal, I, Kasinathan, G, Nguyen, C, Bell, E, Jones, A.F, Berry, C, Benito, A, Turkenburg, J.P, Dodson, E.J, Ruiz Perez, L.M, Wilkinson, A.J, Johansson, N.G, Brun, R, Gilbert, I.H, Gonzalez Pacanowska, D, Wilson, K.S.
Deposit date:2004-05-05
Release date:2005-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dutpase as a Platform for Antimalarial Drug Design: Structural Basis for the Selectivity of a Class of Nucleoside Inhibitors.
Structure, 13, 2005
3JW1
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BU of 3jw1 by Molmil
Crystal Structure of Bovine Pancreatic Ribonuclease Complexed with Uridine-5'-monophosphate at 1.60 A Resolution
Descriptor: Ribonuclease pancreatic, URIDINE-5'-MONOPHOSPHATE
Authors:Larson, S.B, Day, J.S, Nguyen, C, Cudney, R, Mcpherson, A, Center for High-Throughput Structural Biology (CHTSB)
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of bovine pancreatic ribonuclease complexed with uridine 5'-monophosphate at 1.60 A resolution.
Acta Crystallogr.,Sect.F, 66, 2010
3ODQ
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BU of 3odq by Molmil
Structure of a Crystal Form of Human Methemoglobin Indicative of Fiber Formation
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Larson, S.B, Day, J.S, Nguyen, C, Cudney, R, Mcpherson, A, Center for High-Throughput Structural Biology (CHTSB)
Deposit date:2010-08-11
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of a crystal form of human methemoglobin indicative of fiber formation.
Acta Crystallogr.,Sect.D, 66, 2010
3DYB
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BU of 3dyb by Molmil
proteinase K- digalacturonic acid complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Proteinase K, ...
Authors:Larson, S.B, Day, J.S, McPherson, A, Cudney, R, Nguyen, C, Center for High-Throughput Structural Biology (CHTSB)
Deposit date:2008-07-25
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:High-resolution structure of proteinase K cocrystallized with digalacturonic acid.
Acta Crystallogr.,Sect.F, 65, 2009
3ENJ
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BU of 3enj by Molmil
Structure of Pig Heart Citrate Synthase at 1.78 A resolution
Descriptor: CHLORIDE ION, CYSTEINE, Citrate synthase, ...
Authors:Larson, S.B, Day, J.S, Nguyen, C, Cudney, R, McPherson, A, Center for High-Throughput Structural Biology (CHTSB)
Deposit date:2008-09-25
Release date:2009-02-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of pig heart citrate synthase at 1.78 A resolution.
Acta Crystallogr.,Sect.F, 65, 2009
6NHL
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BU of 6nhl by Molmil
Crystal structure of QueE from Escherichia coli
Descriptor: 7-carboxy-7-deazaguanine synthase, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Grell, T.A.J, Bell, B.N, Nguyen, C, Dowling, D.P, Drennan, C.L.
Deposit date:2018-12-23
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Crystal structure of AdoMet radical enzyme 7-carboxy-7-deazaguanine synthase from Escherichia coli suggests how modifications near [4Fe-4S] cluster engender flavodoxin specificity.
Protein Sci., 28, 2019
3PWY
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BU of 3pwy by Molmil
Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2
Descriptor: 3-phosphoinositide-dependent protein kinase 1, N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
Authors:Elling, R.A, Penny, D.M, Simmons, R.L, Erlanson, D.A, Romanowski, M.J.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
3QC4
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BU of 3qc4 by Molmil
PDK1 in complex with DFG-OUT inhibitor xxx
Descriptor: 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1
Authors:Arndt, J.W.
Deposit date:2011-01-15
Release date:2011-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
8DNT
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BU of 8dnt by Molmil
SARS-CoV-2 specific T cell receptor
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, Nucleoprotein, ...
Authors:Gallagher, D.T, Wu, D, Gowthaman, R, Pierce, B.G, Mariuzza, R.A, Weng, N.P.
Deposit date:2022-07-11
Release date:2023-07-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:SARS-CoV-2 infection establishes a stable and age-independent CD8 + T cell response against a dominant nucleocapsid epitope using restricted T cell receptors.
Nat Commun, 14, 2023
3B6Z
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BU of 3b6z by Molmil
Lovastatin polyketide enoyl reductase (LovC) complexed with 2'-phosphoadenosyl isomer of crotonoyl-CoA
Descriptor: Enoyl reductase, GLYCEROL, S-{(9R,13R,15S)-17-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2E)-but-2-enethioate
Authors:Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C.
Deposit date:2007-10-29
Release date:2008-09-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
1RII
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BU of 1rii by Molmil
Crystal structure of phosphoglycerate mutase from M. Tuberculosis
Descriptor: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, GLYCEROL
Authors:Mueller, P, Sawaya, M.R, Chan, S, Wu, Y, Pashkova, I, Perry, J, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-11-17
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.70 angstroms X-ray crystal structure of Mycobacterium tuberculosis phosphoglycerate mutase.
Acta Crystallogr.,Sect.D, 61, 2005
6P3P
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BU of 6p3p by Molmil
Crystal structure of Mcl-1 in complex with compound 65
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
Authors:Toms, A.V, Follows, B.
Deposit date:2019-05-24
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
5ZE4
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BU of 5ze4 by Molmil
The structure of holo- structure of DHAD complex with [2Fe-2S] cluster
Descriptor: ACETATE ION, Dihydroxy-acid dehydratase, chloroplastic, ...
Authors:Zhou, J, Zang, X, Tang, Y, Yan, Y, Gan, J, Wu, L.
Deposit date:2018-02-26
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Resistance-gene-directed discovery of a natural-product herbicide with a new mode of action.
Nature, 559, 2018
3B70
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BU of 3b70 by Molmil
Crystal structure of Aspergillus terreus trans-acting lovastatin polyketide enoyl reductase (LovC) with bound NADP
Descriptor: Enoyl reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ames, B.D, Smith, P.T, Ma, S.M, Wong, E.W, Xie, X, Vederas, J.C, Tang, Y, Tsai, S.-C.
Deposit date:2007-10-29
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012

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