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5CBU
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BU of 5cbu by Molmil
Human Cyclophilin D Complexed with Inhibitor.
Descriptor: 1,2-ETHANEDIOL, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ...
Authors:Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
Deposit date:2015-07-01
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor.
To Be Published
5CC9
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BU of 5cc9 by Molmil
L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oyen, D, Wright, P.E.
Deposit date:2015-07-01
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway.
J.Am.Chem.Soc., 137, 2015
6H2B
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BU of 6h2b by Molmil
Structure of the Macrobrachium rosenbergii Nodavirus
Descriptor: CALCIUM ION, Capsid protein
Authors:Ho, K.H, Gabrielsen, M, Beh, P.L, Kueh, C.L, Thong, Q.X, Streetley, J, Tan, W.S, Bhella, D.
Deposit date:2018-07-13
Release date:2018-10-31
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structure of the Macrobrachium rosenbergii nodavirus: A new genus within the Nodaviridae?
PLoS Biol., 16, 2018
5C79
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BU of 5c79 by Molmil
PH domain of ASAP1 in complex with diC4-PtdIns(4,5)P2
Descriptor: (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE, Arf-GAP, CHLORIDE ION
Authors:Xia, D, Tang, W.K.
Deposit date:2015-06-24
Release date:2015-10-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular Basis for Cooperative Binding of Anionic Phospholipids to the PH Domain of the Arf GAP ASAP1.
Structure, 23, 2015
6YLA
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BU of 6yla by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I.
Deposit date:2020-04-06
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
6YQ1
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BU of 6yq1 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ...
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-04-16
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6GP3
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BU of 6gp3 by Molmil
Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, inactive form
Descriptor: CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain
Authors:Srinivas, V, Lebrette, H, Lundin, D, Kutin, Y, Sahlin, M, Lerche, M, Enrich, J, Branca, R.M.M, Cox, N, Sjoberg, B.M, Hogbom, M.
Deposit date:2018-06-05
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens.
Nature, 563, 2018
6YR9
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BU of 6yr9 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Authors:Musil, D, Amaral, M.
Deposit date:2020-04-19
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YOJ
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BU of 6yoj by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-[4-(3-Methanesulfonyl-benzylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-3,4-dihydro-1H-quinolin-2-one
Descriptor: 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one, Focal adhesion kinase 1
Authors:Musil, D, Heinrich, T.
Deposit date:2020-04-14
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.361 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
1GNU
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BU of 1gnu by Molmil
GABA(A) receptor associated protein GABARAP
Descriptor: GABARAP, NICKEL (II) ION
Authors:Knight, D, Harris, R, Moss, S, Driscoll, P.C, Keep, N.H.
Deposit date:2001-10-09
Release date:2001-12-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The X-Ray Crystal Structure and Putative Ligand-Derived Peptide Binding Properties of Gamma-Aminobutyric Acid Receptor Type a Receptor-Associated Protein
J.Biol.Chem., 277, 2002
6YK8
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BU of 6yk8 by Molmil
OTU-like deubiquitinase from Legionella -Lpg2529
Descriptor: PLATINUM (II) ION, Uncharacterized protein
Authors:Shin, D, Dikic, I.
Deposit date:2020-04-05
Release date:2021-02-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Bacterial OTU deubiquitinases regulate substrate ubiquitination upon Legionella infection.
Elife, 9, 2020
6GSH
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BU of 6gsh by Molmil
Feline Calicivirus Strain F9
Descriptor: POTASSIUM ION, VP1
Authors:Conley, M.J, Bhella, D.
Deposit date:2018-06-14
Release date:2019-01-16
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Calicivirus VP2 forms a portal-like assembly following receptor engagement.
Nature, 565, 2019
5C3H
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BU of 5c3h by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1
Descriptor: 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
Deposit date:2015-06-17
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
6GTP
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BU of 6gtp by Molmil
Structure of the AtaT Y144F mutant toxin
Descriptor: ACETYL COENZYME *A, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Garcia-Pino, A, Jurenas, D.
Deposit date:2018-06-18
Release date:2019-03-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system.
Nat. Chem. Biol., 15, 2019
5C3L
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BU of 5c3l by Molmil
Structure of the metazoan Nup62.Nup58.Nup54 nucleoporin complex.
Descriptor: Nanobody Nb15, Nucleoporin Nup58, Nucleoporin Nup62, ...
Authors:Chug, H, Trakhanov, S, Hulsmann, B.B, Pleiner, T, Gorlich, D.
Deposit date:2015-06-17
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the metazoan Nup62Nup58Nup54 nucleoporin complex.
Science, 350, 2015
6GVE
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BU of 6gve by Molmil
GAPDH-CP12-PRK complex
Descriptor: CP12 polypeptide, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:McFarlane, C.R, Shah, N, Bubeck, D, Murray, J.W.
Deposit date:2018-06-20
Release date:2019-07-03
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 116, 2019
4I8B
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BU of 4i8b by Molmil
Crystal Structure of Thioredoxin from Schistosoma Japonicum
Descriptor: Thioredoxin
Authors:Wu, Q, Peng, Y, Zhao, J, Li, X, Fan, X, Zhou, X, Chen, J, Luo, Z, Shi, D.
Deposit date:2012-12-03
Release date:2013-12-04
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Expression, characterization and crystal structure of thioredoxin from Schistosoma japonicum.
Parasitology, 142, 2015
5C7A
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BU of 5c7a by Molmil
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7
Descriptor: (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A.
Deposit date:2015-06-24
Release date:2015-08-12
Last modified:2015-09-09
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
5CBT
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BU of 5cbt by Molmil
Human Cyclophilin D Complexed with Inhibitor
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, POTASSIUM ION, ...
Authors:Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
Deposit date:2015-07-01
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Human Cyclophilin D Complexed with Inhibitor
To Be Published
6H0R
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BU of 6h0r by Molmil
X-ray structure of SRS2 fragment of Rgs4 3' UTR
Descriptor: BARIUM ION, MAGNESIUM ION, SRS2 fragment of Rgs4 3' UTR, ...
Authors:Heber, S, Janowski, R, Niessing, D.
Deposit date:2018-07-10
Release date:2019-04-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Staufen2-mediated RNA recognition and localization requires combinatorial action of multiple domains.
Nat Commun, 10, 2019
6H55
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BU of 6h55 by Molmil
core of the human pyruvate dehydrogenase (E2)
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial
Authors:Haselbach, D, Prajapati, S, Tittmann, K, Stark, H.
Deposit date:2018-07-23
Release date:2019-06-05
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structural and Functional Analyses of the Human PDH Complex Suggest a "Division-of-Labor" Mechanism by Local E1 and E3 Clusters.
Structure, 27, 2019
6H1T
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BU of 6h1t by Molmil
Structure of the BM3 heme domain in complex with clotrimazole
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, ...
Authors:Jeffreys, L.N, Munro, A.W.M, Leys, D.
Deposit date:2018-07-12
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
6H5S
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BU of 6h5s by Molmil
Cryo-EM map of in vitro assembled Measles virus N into nucleocapsid-like particles (NCLPs) bound to viral genomic 5-prime RNA hexamers.
Descriptor: Nucleocapsid, RNA (5'-R(*AP*CP*CP*AP*GP*A)-3')
Authors:Desfosses, A, Milles, S, Ringkjobing Jensen, M, Guseva, S, Colletier, J.P, Maurin, D, Schoehn, G, Gutsche, I, Ruigrok, R, Blackledge, M.
Deposit date:2018-07-25
Release date:2019-06-12
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Assembly and cryo-EM structures of RNA-specific measles virus nucleocapsids provide mechanistic insight into paramyxoviral replication.
Proc.Natl.Acad.Sci.USA, 116, 2019
5BZ3
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BU of 5bz3 by Molmil
CRYSTAL STRUCTURE OF SODIUM PROTON ANTIPORTER NAPA IN OUTWARD-FACING CONFORMATION.
Descriptor: (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, Na(+)/H(+) antiporter
Authors:Coincon, M, Uzdavinys, P, Emmanuel, N, Cameron, A, Drew, D.
Deposit date:2015-06-11
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters.
Nat.Struct.Mol.Biol., 23, 2016
5C2U
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BU of 5c2u by Molmil
Ferredoxin-like domain of nucleoporin Nup54 bound to a nanobody
Descriptor: Nanobody, Nup54
Authors:Chug, H, Trakhanov, S, Hulsmann, B.B, Pleiner, T, Gorlich, D.
Deposit date:2015-06-16
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the metazoan Nup62Nup58Nup54 nucleoporin complex.
Science, 350, 2015

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