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6XNR
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BU of 6xnr by Molmil
Crystal structure of Rhagium Mordax antifreeze protein
Descriptor: 1,2-ETHANEDIOL, Antifreeze protein
Authors:Ye, Q, Eves, R, Campbell, R.L, Davies, P.L.
Deposit date:2020-07-04
Release date:2020-08-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of an insect antifreeze protein reveals ordered waters on the ice-binding surface.
Biochem.J., 477, 2020
7LA8
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BU of 7la8 by Molmil
O6 variable lymphocyte receptor ectodomain bound to 3-HSO3-Gal-4GlcNAc
Descriptor: 3-O-sulfo-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BIOTIN, O6 variable lymphocyte receptor, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2021-01-06
Release date:2021-07-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8965 Å)
Cite:Novel lamprey antibody recognizes terminal sulfated galactose epitopes on mammalian glycoproteins.
Commun Biol, 4, 2021
1P11
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BU of 1p11 by Molmil
CRYSTAL STRUCTURES OF ALPHA-LYTIC PROTEASE COMPLEXES WITH IRREVERSIBLY BOUND PHOSPHONATE ESTERS
Descriptor: ALPHA-LYTIC PROTEASE, PHOSPHONATE ESTER INHIBITOR A, PHOSPHONATE ESTER INHIBITOR B(TRANSITION STATE), ...
Authors:Bone, R, Agard, D.A.
Deposit date:1990-10-26
Release date:1993-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of alpha-lytic protease complexes with irreversibly bound phosphonate esters.
Biochemistry, 30, 1991
1P12
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BU of 1p12 by Molmil
CRYSTAL STRUCTURES OF ALPHA-LYTIC PROTEASE COMPLEXES WITH IRREVERSIBLY BOUND PHOSPHONATE ESTERS
Descriptor: ALPHA-LYTIC PROTEASE, PHOSPHONATE ESTER INHIBITOR, SULFATE ION
Authors:Bone, R, Agard, D.A.
Deposit date:1990-10-26
Release date:1993-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of alpha-lytic protease complexes with irreversibly bound phosphonate esters.
Biochemistry, 30, 1991
7LAT
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BU of 7lat by Molmil
Campylobacter jejuni keto-acid reductoisomerase in complex with Mg2+
Descriptor: Ketol-acid reductoisomerase, MAGNESIUM ION
Authors:Guddat, L.W.
Deposit date:2021-01-06
Release date:2022-01-12
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
1QSZ
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BU of 1qsz by Molmil
THE VEGF-BINDING DOMAIN OF FLT-1 (MINIMIZED MEAN)
Descriptor: VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
Authors:Starovasnik, M.A, Christinger, H.W, Wiesmann, C, Champe, M.A, de Vos, A.M, Skelton, N.J.
Deposit date:1999-06-24
Release date:1999-11-10
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states.
J.Mol.Biol., 293, 1999
5JYC
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BU of 5jyc by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 14,15-EET hydrolysis intermediate
Descriptor: (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-05-13
Release date:2017-01-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pseudomonas aeruginosa sabotages the generation of host proresolving lipid mediators.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5K1R
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BU of 5k1r by Molmil
Structure of Burkholderia pseudomallei K96243 sphingosine-1-phosphate lyase Bpss2021
Descriptor: Burkholderia pseudomallei sphingosine-1-phosphate lyase Bpss2021, PYRIDOXAL-5'-PHOSPHATE
Authors:Mclean, C.J, Campopiano, D.J, Marles-Wright, J.
Deposit date:2016-05-18
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Characterization of homologous sphingosine-1-phosphate lyase isoforms in the bacterial pathogen Burkholderia pseudomallei.
J. Lipid Res., 58, 2017
5KCM
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BU of 5kcm by Molmil
Crystal structure of iron-sulfur cluster containing photolyase PhrB mutant I51W
Descriptor: (6-4) photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Yang, X, Bowatte, K, Zhang, F, Lamparter, T.
Deposit date:2016-06-06
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity.
Photochem. Photobiol., 93, 2017
3OXW
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BU of 3oxw by Molmil
Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Darunavir
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Mittal, S, Bandaranayake, R.M, Schiffer, C.A.
Deposit date:2010-09-22
Release date:2011-09-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
6D1U
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BU of 6d1u by Molmil
Crystal structure of the human CLR:RAMP1 extracellular domain heterodimer in complex with adrenomedullin 2/intermedin
Descriptor: ADM2, Maltose-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, SODIUM ION, ...
Authors:Pioszak, A, Roehrkasse, A.
Deposit date:2018-04-12
Release date:2018-09-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-function analyses reveal a triple beta-turn receptor-bound conformation of adrenomedullin 2/intermedin and enable peptide antagonist design.
J. Biol. Chem., 293, 2018
6XLD
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BU of 6xld by Molmil
Full-length Hsc82 in complex with Aha1 CTD in the presence of AMPPNP
Descriptor: ATP-dependent molecular chaperone HSC82, Hsp90 co-chaperone AHA1, MAGNESIUM ION, ...
Authors:Liu, Y.X, Sun, M, Myasnikov, A.G, Elnatan, D, Agard, D.A.
Deposit date:2020-06-28
Release date:2021-06-30
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Full-length Hsc82 in complex with Aha1 CTD in the presence of AMPPNP
To Be Published
3PRY
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BU of 3pry by Molmil
Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ...
Authors:Chaikuad, A, Pilka, E, Sharpe, T.D, Cooper, C.D.O, Phillips, C, Berridge, G, Ayinampudi, V, Fedorov, O, Keates, T, Thangaratnarajah, C, Zimmermann, T, Vollmar, M, Yue, W.W, Che, K.H, Krojer, T, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-11-30
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution
To be Published
3PFV
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BU of 3pfv by Molmil
Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
Descriptor: 1,2-ETHANEDIOL, 11-meric peptide from Epidermal growth factor receptor, CHLORIDE ION, ...
Authors:Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Muniz, J.R.C, Vollmar, M, Canning, P, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-10-29
Release date:2010-12-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
To be Published
3PYY
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BU of 3pyy by Molmil
Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site
Descriptor: (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ...
Authors:Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B.
Deposit date:2010-12-13
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
5L5N
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BU of 5l5n by Molmil
Plexin A4 full extracellular region, domains 1 to 7 modeled, data to 8.5 angstrom, spacegroup P4(3)22
Descriptor: Plexin-A4
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (8.502 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
7MJF
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BU of 7mjf by Molmil
Crystal structure of Candidatus Liberibacter solanacearum dihydrodipicolinate synthase with pyruvate and succinic semi-aldehyde bound in active site
Descriptor: (4R)-4-oxidanyl-2-oxidanylidene-heptanedioic acid, (4S)-4-hydroxy-2-oxoheptanedioic acid, 4-hydroxy-tetrahydrodipicolinate synthase
Authors:Gilkes, J, Frampton, R.A, Board, A.J, Sheen, C.R, Smith, G.R, Dobson, R.C.J.
Deposit date:2021-04-20
Release date:2021-07-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Candidatus Liberibacter solanacearum dihydrodipicolinate synthase with pyruvate and succinic semi-aldehyde bound in active site
To Be Published
6SPA
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BU of 6spa by Molmil
A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 IN C2 SPACE GROUP
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ...
Authors:Shahid, M, Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S.
Deposit date:2019-08-31
Release date:2020-03-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
6YOC
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BU of 6yoc by Molmil
Structure of Lysozyme from COC IMISX setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
5KOU
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BU of 5kou by Molmil
Crystal structure of the human astrovirus 2 capsid protein spike domain at 1.87-A resolution
Descriptor: Capsid polyprotein VP25
Authors:Bogdanoff, W.A, DuBois, R.M.
Deposit date:2016-07-01
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.867 Å)
Cite:Structure of a Human Astrovirus Capsid-Antibody Complex and Mechanistic Insights into Virus Neutralization.
J. Virol., 91, 2017
6YOF
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BU of 6yof by Molmil
Structure of PepTSt from COC IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(2-METHOXYETHOXY)ETHANOL, Di-or tripeptide:H+ symporter, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
5L5G
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BU of 5l5g by Molmil
Plexin A2 full extracellular region, domains 1 to 8 modeled, data to 10 angstrom
Descriptor: Plexin-A2
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (10 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L5M
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BU of 5l5m by Molmil
Plexin A4 full extracellular region, domains 1 to 7 modeled, data to 8 angstrom, spacegroup P4(3)2(1)2
Descriptor: Plexin-A4
Authors:Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y.
Deposit date:2016-05-28
Release date:2016-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (8 Å)
Cite:Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
5L0K
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BU of 5l0k by Molmil
Crystal Structure of Autotaxin and Compound PF-8380
Descriptor: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Durbin, J.D.
Deposit date:2016-07-27
Release date:2016-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
7NE1
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BU of 7ne1 by Molmil
Structure of the complex between Netrin-1 and its receptor Neogenin
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C.
Deposit date:2021-02-02
Release date:2021-03-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling.
Cell, 184, 2021

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