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4HCW
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BU of 4hcw by Molmil
Structure of a eukaryotic thiaminase-I
Descriptor: thiaminase-I
Authors:Kreinbring, C.A, Hubbard, P.A, Petsko, G.A, Ringe, D.
Deposit date:2012-10-01
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Structure of a eukaryotic thiaminase I.
Proc.Natl.Acad.Sci.USA, 111, 2014
2CSC
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BU of 2csc by Molmil
Structure of ternary complexes of CITRATE SYNTHASE WITH D-AND L-MALATE: mechanistic implications
Descriptor: CARBOXYMETHYL COENZYME *A, CITRATE SYNTHASE, D-MALATE
Authors:Karpusas, M, Holland, D, Remington, S.J.
Deposit date:1990-05-07
Release date:1991-04-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1.9-A structures of ternary complexes of citrate synthase with D- and L-malate: mechanistic implications.
Biochemistry, 30, 1991
2K8M
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BU of 2k8m by Molmil
S100A13-C2A binary complex structure
Descriptor: Protein S100-A13, Putative uncharacterized protein
Authors:Mohan, S.K, Rani, S.G, Kumar, S.M, Yu, C.
Deposit date:2008-09-14
Release date:2009-03-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:S100A13-C2A binary complex structure-a key component in the acidic fibroblast growth factor for the non-classical pathway.
Biochem.Biophys.Res.Commun., 380, 2009
4JTD
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BU of 4jtd by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Lys27Met mutant of Charybdotoxin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
Authors:Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
5HNE
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BU of 5hne by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A 2-ARYL BENZIMIDAZOLE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR
Descriptor: 1,2-ETHANEDIOL, 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2016-01-18
Release date:2016-05-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors.
Acs Med.Chem.Lett., 7, 2016
6U85
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BU of 6u85 by Molmil
Site-specific lysine arylation as an alternative bioconjugation strategy for chemically programmed antibodies and antibody-drug conjugates
Descriptor: Antibody Fab heavy chain, GLYCEROL, antibody Fab Light chain
Authors:Park, H, Rader, C.
Deposit date:2019-09-04
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Site-Specific Lysine Arylation as an Alternative Bioconjugation Strategy for Chemically Programmed Antibodies and Antibody-Drug Conjugates.
Bioconjug.Chem., 30, 2019
5OW3
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BU of 5ow3 by Molmil
Crystal structure of a C-terminally truncated trimeric ectodomain of the Arabidopsis thaliana gamete fusion protein HAP2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
Authors:Fedry, J, Legrand, P, Rey, F.A, Krey, T.
Deposit date:2017-08-30
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Evolutionary diversification of the HAP2 membrane insertion motifs to drive gamete fusion across eukaryotes.
PLoS Biol., 16, 2018
7CYL
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BU of 7cyl by Molmil
Crystal structure of Karyopherin-beta2 in complex with FUS PY-NLS(P525L)
Descriptor: RNA-binding protein FUS, Transportin-1
Authors:Yoshizawa, T, Chook, Y.M.
Deposit date:2020-09-03
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of karyopherin-beta 2 binding and nuclear import of ALS variants FUS(P525L) and FUS(R495X).
Sci Rep, 11, 2021
5OW4
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BU of 5ow4 by Molmil
Crystal structure of a protease-resistant fragment of the Trypanosoma cruzi gamete fusion protein HAP2 ectodomain
Descriptor: Uncharacterized protein
Authors:Fedry, J, Rey, F.A, Krey, T.
Deposit date:2017-08-30
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Evolutionary diversification of the HAP2 membrane insertion motifs to drive gamete fusion across eukaryotes.
PLoS Biol., 16, 2018
7P0R
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BU of 7p0r by Molmil
Crystal structure of L-Trp/Indoleamine 2,3-dioxygenase (hIDO1) complex with the JK-loop refined in the intermediate conformation
Descriptor: GLYCEROL, Indoleamine 2,3-dioxygenase 1, N'-Formylkynurenine, ...
Authors:Mirgaux, M, Wouters, J.
Deposit date:2021-06-30
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.
Int J Tryptophan Res, 14, 2021
7P0N
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BU of 7p0n by Molmil
Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the open conformation
Descriptor: CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
Authors:Mirgaux, M, Wouters, J.
Deposit date:2021-06-30
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.
Int J Tryptophan Res, 14, 2021
7PC6
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BU of 7pc6 by Molmil
DNA-binding domain of a p53 homolog from the hydrothermal vent annelid Alvinella pompejana
Descriptor: 1,2-ETHANEDIOL, DNA-binding domain, ZINC ION
Authors:Balourdas, D.-I, Knapp, S, Soussi, T, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2021-08-03
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Evolutionary history of the p53 family DNA-binding domain: insights from an Alvinella pompejana homolog.
Cell Death Dis, 13, 2022
6XB7
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BU of 6xb7 by Molmil
IRES-targeting Small Molecule Inhibits Enterovirus 71 Replication via Allosteric Stabilization of a Ternary Complex
Descriptor: 3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide, RNA (41-MER)
Authors:Tolbert, B.S, Davila, J, Sugarman, A.L, Chiu, L.Y.
Deposit date:2020-06-05
Release date:2020-09-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex.
Nat Commun, 11, 2020
4JTC
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BU of 4jtc by Molmil
Crystal structure of Kv1.2-2.1 paddle chimera channel in complex with Charybdotoxin in Cs+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Banerjee, A, Lee, A, Campbell, E, MacKinnon, R.
Deposit date:2013-03-23
Release date:2013-06-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K(+) channel.
Elife, 2, 2013
6W35
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BU of 6w35 by Molmil
A new Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-fluoranyl-~{N}-[(2~{R})-1-[1-(2~{H}-indazol-5-yl)-3-methyl-2,4-bis(oxidanylidene)-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-5-(trifluoromethyl)benzamide, CALCIUM ION, ...
Authors:Cuozzo, J.W.
Deposit date:2020-03-09
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.
J.Med.Chem., 63, 2020
7N7S
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BU of 7n7s by Molmil
Crystal Structure of Hydroxymethylglutaryl-CoA reductase from Elizabethkingia anophelis NUHP1
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Hydroxymethylglutaryl-CoA reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-11
Release date:2021-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Hydroxymethylglutaryl-CoA reductase from Elizabethkingia anophelis NUHP1
To be published
4HDQ
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BU of 4hdq by Molmil
Crystal Structure of the Ternary Complex of KRIT1 bound to both the Rap1 GTPase and the Heart of Glass (HEG1) cytoplasmic tail
Descriptor: GLYCEROL, Krev interaction trapped protein 1, MAGNESIUM ION, ...
Authors:Gingras, A.R.
Deposit date:2012-10-02
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Structure of the Ternary Complex of Krev Interaction Trapped 1 (KRIT1) Bound to Both the Rap1 GTPase and the Heart of Glass (HEG1) Cytoplasmic Tail.
J.Biol.Chem., 288, 2013
5OMF
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BU of 5omf by Molmil
Closed, ternary structure of KOD DNA polymerase
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*C)-3'), ...
Authors:Kropp, H.M, Betz, K, Wirth, J, Diederichs, K, Marx, A.
Deposit date:2017-07-31
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Crystal structures of ternary complexes of archaeal B-family DNA polymerases.
PLoS ONE, 12, 2017
6UWR
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BU of 6uwr by Molmil
Clostridium difficile binary toxin translocase CDTb in asymmetric tetradecamer conformation
Descriptor: ADP-ribosyltransferase binding component, CALCIUM ION
Authors:Xu, X, Pozharski, E, des Georges, A.
Deposit date:2019-11-05
Release date:2020-01-22
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of the cell-binding component of theClostridium difficilebinary toxin reveals a di-heptamer macromolecular assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
4CRM
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BU of 4crm by Molmil
Cryo-EM of a pre-recycling complex with eRF1 and ABCE1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, EUKARYOTIC PEPTIDE CHAIN RELEASE FACTOR SUBUNIT 1, ...
Authors:Preis, A, Heuer, A, Barrio-Garcia, C, Hauser, A, Eyler, D, Berninghausen, O, Green, R, Becker, T, Beckmann, R.
Deposit date:2014-02-28
Release date:2014-07-23
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.75 Å)
Cite:Cryoelectron Microscopic Structures of Eukaryotic Translation Termination Complexes Containing Erf1-Erf3 or Erf1-Abce1.
Cell Rep., 8, 2014
5X8Q
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BU of 5x8q by Molmil
Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain With rockogenin.
Descriptor: (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T.
Deposit date:2017-03-03
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
4V0U
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BU of 4v0u by Molmil
The crystal structure of ternary PP1G-PPP1R15B and G-actin complex
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J.
Deposit date:2014-09-18
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (7.88 Å)
Cite:G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
2KPC
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BU of 2kpc by Molmil
Structure determination of the top-loop of the conserved 3 terminal secondary structure in the genome of YFV
Descriptor: RNA (5'-R(*UP*GP*AP*GP*CP*AP*CP*AP*GP*UP*UP*UP*GP*CP*UP*CP*A)-3')
Authors:Lescrinier, E, Dyubankova, N, Nauwelaerts, K, Jones, R, Herdewijn, P.
Deposit date:2009-10-12
Release date:2010-06-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure Determination of the Top-Loop of the Conserved 3'-Terminal Secondary Structure in the Genome of Flaviviruses.
Chembiochem, 11, 2010
2KPD
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BU of 2kpd by Molmil
Structure determination of the top-loop of the conserved 3 terminal secondary structure in the genome of YFV-mutant
Descriptor: RNA (5'-R(*UP*GP*AP*GP*CP*UP*CP*AP*GP*UP*UP*UP*GP*CP*UP*CP*A)-3')
Authors:Lescrinier, E, Dyubankova, N, Nauwelaerts, K, Jones, R, Herdewijn, P.
Deposit date:2009-10-12
Release date:2010-06-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure Determination of the Top-Loop of the Conserved 3'-Terminal Secondary Structure in the Genome of Flaviviruses.
Chembiochem, 11, 2010
5C4E
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BU of 5c4e by Molmil
Crystal structure of GTB + UDP-Glc + H-antigen acceptor
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V.
Deposit date:2015-06-18
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015

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