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5DIR
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BU of 5dir by Molmil
membrane protein at 2.8 Angstroms
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Globomycin, Lipoprotein signal peptidase
Authors:Vogeley, L, El Arnaout, T, Bailey, J, Boland, C, Caffrey, M.
Deposit date:2015-09-01
Release date:2016-03-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of lipoprotein signal peptidase II action and inhibition by the antibiotic globomycin.
Science, 351, 2016
5DR5
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BU of 5dr5 by Molmil
Crystal structure of the sclerostin-neutralizing Fab AbD09097
Descriptor: AbD09097 Fab heavy chain, AbD09097 Fab light chain
Authors:Mueller, T.D, Boschert, V, Weidauer, S.E, Muth, E.M, Knappik, A, Frisch, C.
Deposit date:2015-09-15
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Generation and Affinity Maturation of Neutralizing Anti-Sclerostin Antibodies
to be published
3E1I
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BU of 3e1i by Molmil
Crystal Structure of BbetaD432A Variant Fibrinogen Fragment D with the Peptide Ligand Gly-His-Arg-Pro-amide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrinogen alpha chain, ...
Authors:Bowley, S.R, Lord, S.T.
Deposit date:2008-08-04
Release date:2009-01-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fibrinogen variant BbetaD432A has normal polymerization but does not bind knob "B".
Blood, 113, 2009
5E3J
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BU of 5e3j by Molmil
The response regulator RstA is a potential drug target for Acinetobacter baumannii
Descriptor: Response regulator RstA
Authors:Russo, T.A, Manohar, A, Beanan, J.M, Olson, R, MacDonald, U, Graham, J, Umland, T.C.
Deposit date:2015-10-02
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Response Regulator BfmR Is a Potential Drug Target for Acinetobacter baumannii.
Msphere, 1, 2016
5D2H
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BU of 5d2h by Molmil
4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and alpha-ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-oxalocrotonate decarboxylase NahK, ...
Authors:Guimaraes, S.L, Nagem, R.A.P.
Deposit date:2015-08-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Crystal Structures of Apo and Liganded 4-Oxalocrotonate Decarboxylase Uncover a Structural Basis for the Metal-Assisted Decarboxylation of a Vinylogous beta-Keto Acid.
Biochemistry, 55, 2016
5D2K
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BU of 5d2k by Molmil
4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and 2-oxoadipate
Descriptor: 1,2-ETHANEDIOL, 2-OXOADIPIC ACID, 4-oxalocrotonate decarboxylase NahK, ...
Authors:Guimaraes, S.L, Nagem, R.A.P.
Deposit date:2015-08-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.571 Å)
Cite:Crystal Structures of Apo and Liganded 4-Oxalocrotonate Decarboxylase Uncover a Structural Basis for the Metal-Assisted Decarboxylation of a Vinylogous beta-Keto Acid.
Biochemistry, 55, 2016
3D8H
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BU of 3d8h by Molmil
Crystal structure of phosphoglycerate mutase from Cryptosporidium parvum, cgd7_4270
Descriptor: Glycolytic phosphoglycerate mutase
Authors:Wernimont, A.K, Lew, J, Wasney, G, Alam, Z, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wilkstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2008-05-23
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Characterization of a new phosphatase from Plasmodium.
Mol.Biochem.Parasitol., 179, 2011
3DZQ
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BU of 3dzq by Molmil
Human EphA3 kinase domain in complex with inhibitor AWL-II-38.3
Descriptor: EPH receptor A3, N-[2-methyl-5-({[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide
Authors:Walker, J.R, Syeda, F, Gray, N, Mansoor, W, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-07-30
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Kinase Domain of Human Ephrin Type-A Receptor 3 (Epha3) in Complex with ALW-II-38-3.
To be Published
5EGM
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BU of 5egm by Molmil
Development of a novel tricyclic class of potent and selective FIXa inhibitors
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ...
Authors:Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B.
Deposit date:2015-10-27
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.841 Å)
Cite:Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5EUP
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BU of 5eup by Molmil
Structure of the Drosophila melanogaster CP190 BTB domain
Descriptor: Centrosome-associated zinc finger protein CP190
Authors:Plevock, K.M, Galletta, B.J, Slep, K.C, Rusan, N.M.
Deposit date:2015-11-19
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Newly Characterized Region of CP190 Associates with Microtubules and Mediates Proper Spindle Morphology in Drosophila Stem Cells.
Plos One, 10, 2015
5DAE
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BU of 5dae by Molmil
Kazal type inhibitor from salivary glands of Aedes aegypti mosquito
Descriptor: AAEL006007-PA
Authors:Torquato, R.J.S, Pereira, P.J.B, Tanaka, A.S.
Deposit date:2015-08-19
Release date:2016-09-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution structure of a Kazal-type serine protease inhibitor from the dengue vector Aedes aegypti.
Acta Crystallogr F Struct Biol Commun, 73, 2017
1XQ8
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BU of 1xq8 by Molmil
Human micelle-bound alpha-synuclein
Descriptor: Alpha-synuclein
Authors:Ulmer, T.S, Bax, A, Cole, N.B, Nussbaum, R.L.
Deposit date:2004-10-11
Release date:2005-01-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and dynamics of micelle-bound human alpha-synuclein
J.Biol.Chem., 280, 2005
5DBQ
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BU of 5dbq by Molmil
Crystal structure of insect thioredoxin at 1.95 Angstroms
Descriptor: Thioredoxin
Authors:Klinke, S, Tejedor, M.D, Cerutti, M.L, Giacometti, R, Otero, L.H, Goldbaum, F.A, Zavala, J.A, Wolosiuk, R.A, Pagano, E.A.
Deposit date:2015-08-21
Release date:2016-08-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of insect thioredoxin at 1.95 Angstroms
To Be Published
5FS8
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BU of 5fs8 by Molmil
Crystal structure of the G308E mutant of human apoptosis inducing factor
Descriptor: APOPTOSIS-INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Sevrioukova, I.
Deposit date:2015-12-31
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure/Function Relations in Aifm1 Variants Associated with Neurodegenerative Disorders
J.Mol.Biol., 428, 2016
1YGC
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BU of 1ygc by Molmil
Short Factor VIIa with a small molecule inhibitor
Descriptor: (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ...
Authors:Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D.
Deposit date:2005-01-04
Release date:2005-01-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo.
J.Biol.Chem., 280, 2005
5MHM
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BU of 5mhm by Molmil
FXIIIa in complex with the inhibitor ZED1630
Descriptor: CALCIUM ION, CHLORIDE ION, Coagulation factor XIII A chain, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2016-11-24
Release date:2017-12-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:FXIIIa in complex with the inhibitor Mi0621
To Be Published
5MHO
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BU of 5mho by Molmil
FXIIIa in complex with the inhibitor ZED2369
Descriptor: CALCIUM ION, Coagulation factor XIII A chain, SULFATE ION, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2016-11-24
Release date:2017-12-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:FXIIIa in complex with the inhibitor ZED2369
To Be Published
5ML1
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BU of 5ml1 by Molmil
NMR Structure of the Littorina littorea metallothionein, a snail MT folding into three distinct domains
Descriptor: CADMIUM ION, Putative metallothionein
Authors:Baumann, C, Beil, A, Jurt, S, Zerbe, O.
Deposit date:2016-12-06
Release date:2017-04-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Adaptation of a Protein to Increased Metal Stress: NMR Structure of a Marine Snail Metallothionein with an Additional Domain.
Angew. Chem. Int. Ed. Engl., 56, 2017
1DEC
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BU of 1dec by Molmil
STRUCTURE OF THE RGD PROTEIN DECORSIN: CONSERVED MOTIF AND DISTINCT FUNCTION IN LEECH PROTEINS THAT AFFECT BLOOD CLOTTING
Descriptor: DECORSIN
Authors:Krezel, A.M, Wagner, G, Seymour-Ulmer, J, Lazarus, R.A.
Deposit date:1994-05-17
Release date:1994-08-31
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Structure of the RGD protein decorsin: conserved motif and distinct function in leech proteins that affect blood clotting.
Science, 264, 1994
5NJD
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BU of 5njd by Molmil
Structure of Interleukin 23 in complex with Briakinumab FAb
Descriptor: Briakinumab FAb Heavy chain, Briakinumab FAb Light chain, Interleukin-12 subunit beta, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2017-03-28
Release date:2018-01-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Activation of Pro-inflammatory Human Cytokine IL-23 by Cognate IL-23 Receptor Enables Recruitment of the Shared Receptor IL-12R beta 1.
Immunity, 48, 2018
1E3Y
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BU of 1e3y by Molmil
Death domain from human FADD/MORT1
Descriptor: FADD PROTEIN
Authors:Driscoll, P.C, Berglund, H, Olerenshaw, D, McDonald, N.Q.
Deposit date:2000-06-26
Release date:2000-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Three-Dimensional Solution Structure and Dynamic Properties of the Human Fadd Death Domain
J.Mol.Biol., 302, 2000
5NS9
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BU of 5ns9 by Molmil
Crystal structure of the GluA2 LBD (L483Y-N754S-L758V) in complex with glutamate
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ...
Authors:Eibl, C, Plested, A.J.R.
Deposit date:2017-04-25
Release date:2017-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Unitary Properties of AMPA Receptors with Reduced Desensitization.
Biophys. J., 113, 2017
1E41
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BU of 1e41 by Molmil
Death domain from human FADD/MORT1
Descriptor: FADD PROTEIN
Authors:Driscoll, P.C, Berglund, H, Olerenshaw, D, McDonald, N.Q.
Deposit date:2000-06-27
Release date:2000-11-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Three-Dimensional Solution Structure and Dynamic Properties of the Human Fadd Death Domain
J.Mol.Biol., 302, 2000
5MQV
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BU of 5mqv by Molmil
Crystal structure of human Casein Kinase I delta in complex with 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide
Descriptor: 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide, Casein kinase I isoform delta, PHOSPHATE ION
Authors:Pichlo, C, Brunstein, E, Baumann, U.
Deposit date:2016-12-20
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1 delta and Their Structural Relation to p38 alpha MAPK.
Molecules, 22, 2017
5MHN
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BU of 5mhn by Molmil
FXIIIa in complex with the inhibitor ZED2360
Descriptor: CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ...
Authors:Stieler, M, Heine, A, Klebe, G.
Deposit date:2016-11-24
Release date:2017-12-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:FXIIIa in complex with the inhibitor Mi0621
To Be Published

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