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3KQ0
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Crystal structure of human alpha1-acid glycoprotein
Descriptor: (2R)-2,3-dihydroxypropyl acetate, Alpha-1-acid glycoprotein 1, CHLORIDE ION
Authors:Schiefner, A, Schonfeld, D.L, Ravelli, R.B.G, Mueller, U, Skerra, A.
Deposit date:2009-11-17
Release date:2010-02-02
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8-A crystal structure of alpha1-acid glycoprotein (Orosomucoid) solved by UV RIP reveals the broad drug-binding activity of this human plasma lipocalin.
J.Mol.Biol., 384, 2008
6PZE
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BU of 6pze by Molmil
Crystal structure of human NA-45 Fab in complex with neuraminidase Y169aH mutant from A/Shanghai/2/2013 (H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NA-45 FAB HEAVY CHAIN, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2019-07-31
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
3KW4
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Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine
Descriptor: 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2009-11-30
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
8T9B
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BU of 8t9b by Molmil
Structure of the CK variant of Fab F1 (FabC-F1) in complex with the C-terminal FN3 domain of EphA2
Descriptor: CK variant of Fab F1 heavy chain, CK variant of Fab F1 light chain, Ephrin type-A receptor 2
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-23
Release date:2024-05-01
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Engineered Antigen-binding Fragments for Enhanced Crystallization of Antibody:Antigen Complexes
To be Published
3KXM
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Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74
Descriptor: Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
6Q6V
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BU of 6q6v by Molmil
Crystal structure (trigonal form) of C36S mutant of thioredoxin h1 from Chlamydomonas reinhardtii
Descriptor: DI(HYDROXYETHYL)ETHER, Thioredoxin H-type
Authors:Fermani, S, Zaffagnini, M, Lemaire, S.D.
Deposit date:2018-12-11
Release date:2019-01-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structural and Biochemical Insights into the Reactivity of Thioredoxin h1 fromChlamydomonas reinhardtii.
Antioxidants (Basel), 8, 2019
6Q7K
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ERK2 mini-fragment binding
Descriptor: 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-13
Release date:2019-03-27
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
8TCE
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BU of 8tce by Molmil
Lipoprotein(a) Kringle IV domain 8 - Lp(a) KIV8 in complex with LY3353871
Descriptor: (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid, Apolipoprotein(a)
Authors:Hendle, J, Weichert, K, Sauder, J.M.
Deposit date:2023-06-30
Release date:2024-05-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Discovery of potent small-molecule inhibitors of lipoprotein(a) formation.
Nature, 629, 2024
6PUV
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Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin
Descriptor: C-type lectin domain family 10 member A, CALCIUM ION
Authors:Birrane, G, Murphy, P.V, Gabba, A, Luz, J.G.
Deposit date:2019-07-18
Release date:2020-07-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc and the Tumor-Associated Tn Antigen.
Biochemistry, 60, 2021
3L1E
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Bovine AlphaA crystallin Zinc Bound
Descriptor: Alpha-crystallin A chain, GLYCEROL, ZINC ION
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2009-12-11
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
3L1K
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SAD structure solution of proteinase K grown in potassium tellurate solution
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Orthotelluric acid, ...
Authors:Jakoncic, J.
Deposit date:2009-12-11
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:SAD structure solution of proteinase K grown in potassium tellurate solution
To be Published
6Q8S
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BU of 6q8s by Molmil
Elastase (PPE) under 2 kbar of argon
Descriptor: ARGON, Chymotrypsin-like elastase family member 1, SODIUM ION, ...
Authors:Prange, T, Carpentier, P.
Deposit date:2018-12-16
Release date:2020-01-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Labelling protein crystals by argon at 2 kbar
To be published
6PVU
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RNase A in complex with hexametaphosphate
Descriptor: 2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone, Ribonuclease pancreatic
Authors:Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T.
Deposit date:2019-07-21
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
6PVW
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RNase A in complex with cp4pA
Descriptor: 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone, 5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine, Ribonuclease pancreatic
Authors:Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T.
Deposit date:2019-07-21
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
6PWT
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Crystal structure of the cow C-type carbohydrate-recognition domain of CD23 in the presence of GlcNAc2Man3 oligosaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, CALCIUM ION, Fc fragment of IgE receptor II
Authors:Weis, W.I, Feinberg, H.
Deposit date:2019-07-23
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:CD23 is a glycan-binding receptor in some mammalian species.
J.Biol.Chem., 294, 2019
4XX9
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BU of 4xx9 by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RF4
Descriptor: (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2015-01-29
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Small-Molecule Allosteric Modulators of the Protein Kinase PDK1 from Structure-Based Docking.
J.Med.Chem., 58, 2015
4XXL
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Crystal structure of Class 1 cytochrome MtoD from Sideroxydans lithotrophicus ES-1
Descriptor: Cytochrome c class I, HEME C
Authors:Beckwith, C.R, Edwards, M.J, Clarke, T.
Deposit date:2015-01-30
Release date:2015-04-15
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Characterization of MtoD from Sideroxydans lithotrophicus: a cytochrome c electron shuttle used in lithoautotrophic growth.
Front Microbiol, 6, 2015
3L1G
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Human AlphaB crystallin
Descriptor: Alpha-crystallin B chain, SULFATE ION
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2009-12-11
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
6PZF
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BU of 6pzf by Molmil
Crystal structure of human NA-63 Fab in complex with neuraminidase from A/Hunan/02650/2016(H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2019-07-31
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
4XVQ
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H-Ras Y137E
Descriptor: GLYCEROL, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2015-01-27
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.887 Å)
Cite:Tyrosine phosphorylation of RAS by ABL allosterically enhances effector binding.
Faseb J., 29, 2015
3L30
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Crystal structure of porcine pancreatic phospholipase A2 complexed with dihydroxyberberine
Descriptor: 4,14-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol, CALCIUM ION, CHLORIDE ION, ...
Authors:Naveen, C, Prasanth, G.K, Abhilash, J, Pradeep, M, Ponnuraj, K, Sadasivan, C, Haridas, M.
Deposit date:2009-12-16
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of porcine pancreatic phospholipase A2 complexed with dihydroxyberberine
To be Published
6QF1
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X-Ray structure of Proteinase K crystallized on a silicon chip
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Proteinase K
Authors:Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
Deposit date:2019-01-09
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.737 Å)
Cite:On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
6QF7
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Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, ...
Authors:Pathak, M, Mannal, R, Li, C, Bubacarr, G.K, Badraldin, K.H, Belviso, B.D, Camila, R.B, Dreveny, I, Fischer, P.M, Dekker, L.V, Oliva, M.L.V, Emsley, J.
Deposit date:2019-01-09
Release date:2019-06-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics.
Acta Crystallogr D Struct Biol, 75, 2019
3KXG
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Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
Descriptor: 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
4Y0R
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Bovine beta-lactoglobulin complex with pramocaine crystallized from ammonium sulphate (BLG-PRM2)
Descriptor: Beta-lactoglobulin, Pramocaine
Authors:Loch, J.I, Bonarek, P, Polit, A, Jablonski, M, Czub, M, Ye, X, Lewinski, K.
Deposit date:2015-02-06
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:beta-Lactoglobulin interactions with local anaesthetic drugs - Crystallographic and calorimetric studies.
Int.J.Biol.Macromol., 80, 2015

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