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4B8W
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BU of 4b8w by Molmil
Crystal structure of human GDP-L-fucose synthase with bound NADP and GDP, tetragonal crystal form
Descriptor: GDP-L-FUCOSE SYNTHASE, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vollmar, M, Krojer, T, Shafqat, N, Rojkova, A, Bunkoczi, G, Pike, A, Chaikuat, A, Carpenter, E, Yue, W.W, Kavanagh, K, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.
Deposit date:2012-08-31
Release date:2012-11-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of Human Gdp-L-Fucose Synthase with Bound Nadp and Gdp, Tetragonal Crystal Form
To be Published
4LP1
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BU of 4lp1 by Molmil
Crystal structure of CyaY protein from Psychromonas ingrahamii in complex with Eu(III)
Descriptor: EUROPIUM (III) ION, Protein CyaY
Authors:Noguera, M.E, Roman, E.A, Cousido-Siah, A, Mitschler, A, Podjarny, A, Santos, J.
Deposit date:2013-07-14
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural characterization of metal binding to a cold-adapted frataxin
J.Biol.Inorg.Chem., 20, 2015
6ZQ2
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BU of 6zq2 by Molmil
Cationic trypsin in complex with a derivative of benzamidine
Descriptor: CALCIUM ION, Cationic trypsin, D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide, ...
Authors:Sandner, A, Heine, A, Klebe, G.
Deposit date:2020-07-09
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Cationic trypsin in complex with a derivative of benzamidine
To be published
8CE2
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BU of 8ce2 by Molmil
X-ray structure of the adduct formed upon reaction of a B-DNA double helical dodecamer with dirhodium tetraacetate
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A.
Deposit date:2023-02-01
Release date:2023-05-31
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Dirhodium tetraacetate binding to a B-DNA double helical dodecamer probed by X-ray crystallography and mass spectrometry.
Dalton Trans, 52, 2023
6ZUS
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BU of 6zus by Molmil
Crystal structure of the effector Ecp11-1 from Fulvia fulva
Descriptor: DI(HYDROXYETHYL)ETHER, Extracellular protein 11-1, GLYCEROL, ...
Authors:Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I.
Deposit date:2020-07-23
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
5ENE
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BU of 5ene by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with 5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile (SGC - Diamond I04-1 fragment screening)
Descriptor: 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein
Authors:Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2015-11-09
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ETA
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BU of 5eta by Molmil
Structure of MAPK14 with bound the KIM domain of the Toxoplasma protein GRA24
Descriptor: Mitogen-activated protein kinase 14, Putative transmembrane protein
Authors:Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M.
Deposit date:2015-11-17
Release date:2016-10-26
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
6ZUQ
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BU of 6zuq by Molmil
Crystal structure of the effector Ecp11-1 from Fulvia fulva
Descriptor: Extracellular protein 11-1, GLYCEROL, ZINC ION
Authors:Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I.
Deposit date:2020-07-23
Release date:2021-08-04
Last modified:2022-07-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
5F0J
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BU of 5f0j by Molmil
Structure of retromer VPS26-VPS35 subunits bound to SNX3
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A.
Deposit date:2015-11-27
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016
7VTN
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BU of 7vtn by Molmil
Cryo-EM structure of the Cas13bt3-crRNA-target RNA ternary complex
Descriptor: Cas13bt3, crRNA, target RNA
Authors:Nakagawa, R, Soumya, K, Han, A, Takeda, N.S, Tomita, A, Hirano, H, Kusakizako, T, Tomohiro, N, Yamashita, K, Feng, Z, Nishimasu, H, Nureki, O.
Deposit date:2021-10-30
Release date:2022-09-07
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structure and engineering of the minimal type VI CRISPR-Cas13bt3.
Mol.Cell, 82, 2022
8C7J
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BU of 8c7j by Molmil
Phage display derived serum albumin binding knob domain engineered within a novel VH framework 3 bispecific antibody format
Descriptor: CHLORIDE ION, Fab heavy chain with knob domain, Fab light chain
Authors:Adams, R, Macpherson, A.
Deposit date:2023-01-16
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serum albumin binding knob domains engineered within a V H framework III bispecific antibody format and as chimeric peptides.
Front Immunol, 14, 2023
3HW1
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BU of 3hw1 by Molmil
Structure of Bace (beta secretase) in complex with ligand EV2
Descriptor: 3-pyrrolidin-1-ylquinoxalin-2-amine, Beta-secretase 1, GLYCEROL
Authors:Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A.
Deposit date:2009-06-17
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Biochemistry, 48, 2009
5ETF
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BU of 5etf by Molmil
Structure of dead kinase MAPK14 with bound the KIM domain of MKK6
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, Mitogen-activated protein kinase 14
Authors:Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M.
Deposit date:2015-11-17
Release date:2016-10-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
8C7V
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BU of 8c7v by Molmil
Phage display derived serum albumin binding knob domain engineered within a novel VH framework 3 bispecific antibody format
Descriptor: Fab heavy chain, Fab light chain
Authors:Adams, R, Macpherson, A.
Deposit date:2023-01-17
Release date:2023-06-07
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Serum albumin binding knob domains engineered within a V H framework III bispecific antibody format and as chimeric peptides.
Front Immunol, 14, 2023
5LGT
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BU of 5lgt by Molmil
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15
Descriptor: 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ...
Authors:Mattevi, A, Ciossani, G.
Deposit date:2016-07-08
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.
J. Med. Chem., 60, 2017
8EYH
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BU of 8eyh by Molmil
SARS-CoV-2 spike protein bound with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ...
Authors:Laughlin, Z.T, Patel, A, Ortlund, E.A.
Deposit date:2022-10-27
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:SARS-CoV-2 spike protein bound with nanobody
To Be Published
6A2O
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BU of 6a2o by Molmil
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine), Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
Deposit date:2018-06-12
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
5LMJ
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BU of 5lmj by Molmil
Llama nanobody PorM_19
Descriptor: PHOSPHATE ION, nanobody
Authors:Leone, P, Cambillau, C, Roussel, A.
Deposit date:2016-08-01
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5F0L
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BU of 5f0l by Molmil
Structure of retromer VPS26-VPS35 subunits bound to SNX3 and DMT1
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Natural resistance-associated macrophage protein 2, ...
Authors:Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A.
Deposit date:2015-11-27
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016
8EYG
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BU of 8eyg by Molmil
SARS-CoV-2 spike protein complexed with two nanobodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ...
Authors:Laughlin, Z.T, Patel, A, Ortlund, E.A.
Deposit date:2022-10-27
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:SARS-CoV-2 spike protein bound with nanobodies
To Be Published
7ZE0
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BU of 7ze0 by Molmil
Solution structure of the PulM C-terminal domain from Klebsiella oxytoca
Descriptor: Type II secretion system protein M
Authors:Lopez-Castilla, A, Bardiaux, B, Nilges, M, Francetic, O, Izadi-Pruneyre, N.
Deposit date:2022-03-30
Release date:2023-01-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
8C9G
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BU of 8c9g by Molmil
Priestia megaterium mupirocin-sensitive isoleucyl-tRNA synthetase 1 complexed with mupirocin
Descriptor: CHLORIDE ION, GLYCEROL, Isoleucine--tRNA ligase, ...
Authors:Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Ban, N, Gruic-Sovulj, I.
Deposit date:2023-01-22
Release date:2023-08-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
7AA5
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BU of 7aa5 by Molmil
Human TRPV4 structure in presence of 4a-PDD
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein
Authors:Botte, M, Ulrich, A.K.G, Adaixo, R, Gnutt, D, Brockmann, A, Bucher, D, Chami, M, Bocquet, M, Ebbinghaus-Kintscher, U, Puetter, V, Becker, A, Egner, U, Stahlberg, H, Hennig, M, Holton, S.J.
Deposit date:2020-09-03
Release date:2021-08-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation
To Be Published
8C8U
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BU of 8c8u by Molmil
Priestia megaterium mupirocin-resistant isoleucyl-tRNA synthetase 2 complexed with mupirocin
Descriptor: Isoleucine--tRNA ligase, L(+)-TARTARIC ACID, MUPIROCIN, ...
Authors:Brkic, A, Leibundgut, M, Jablonska, J, Zanki, V, Car, Z, Petrovic Perokovic, V, Gruic-Sovulj, I, Ban, N.
Deposit date:2023-01-21
Release date:2023-08-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Antibiotic hyper-resistance in a class I aminoacyl-tRNA synthetase with altered active site signature motif.
Nat Commun, 14, 2023
1IYU
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BU of 1iyu by Molmil
LIPOYL DOMAIN OF PYRUVATE DEHYDROGENASE COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: DIHYDROLIPOAMIDE ACETYLTRANSFERASE COMPONENT OF PYRUVATE DEHYDROGENASE COMPLEX
Authors:Berg, A, Vervoort, J, De Kok, A.
Deposit date:1996-09-25
Release date:1997-03-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional structure in solution of the N-terminal lipoyl domain of the pyruvate dehydrogenase complex from Azotobacter vinelandii.
Eur.J.Biochem., 244, 1997

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