8J25
 
 | | Crystal structure of PML B-box2 mutant | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Protein PML, ZINC ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhou, C, Zang, N, Zhang, J. | | Deposit date: | 2023-04-14 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of PML-RARA Oncoprotein Targeting by Arsenic Unravels a Cysteine Rheostat Controlling PML Body Assembly and Function.
Cancer Discov, 13, 2023
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5LRK
 | | Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin F complex | | Descriptor: | Anabaenopeptin F, Carboxypeptidase B, ZINC ION | | Authors: | Schreuder, H, Liesum, A, Loenze, P. | | Deposit date: | 2016-08-19 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
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5LRJ
 | | Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin C complex | | Descriptor: | Anabaenopeptin C, Carboxypeptidase B, ZINC ION | | Authors: | Schreuder, H, Liesum, A, Loenze, P. | | Deposit date: | 2016-08-19 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
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7NZY
 | | Crystal structure of human Casein Kinase I delta in complex with CGS-15943 | | Descriptor: | 9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine, Casein kinase I isoform delta, MALONATE ION, ... | | Authors: | Pichlo, C, Baumann, U. | | Deposit date: | 2021-03-24 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Phenotypic Discovery of Triazolo[1,5- c ]quinazolines as a First-In-Class Bone Morphogenetic Protein Amplifier Chemotype.
J.Med.Chem., 65, 2022
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4WYV
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4WNX
 | | Netrin 4 lacking the C-terminal Domain | | 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: | McDougall, M, Patel, T, Reuten, R, Meier, M, Koch, M, Stetefeld, J. | | Deposit date: | 2014-10-14 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.723 Å) | | Cite: | Structural decoding of netrin-4 reveals a regulatory function towards mature basement membranes.
Nat Commun, 7, 2016
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6OMN
 | | Glycosylated BMP2 homodimer | | Descriptor: | Bone morphogenetic protein 2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Juo, Z.S, Seeherman, H. | | Deposit date: | 2019-04-19 | | Release date: | 2019-05-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix.
Sci Transl Med, 11, 2019
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2EU1
 | | Crystal structure of the chaperonin GroEL-E461K | | Descriptor: | GROEL | | Authors: | Cabo-Bilbao, A, Spinelli, S, Sot, B, Agirre, J, Mechaly, A.E, Muga, A, Guerin, D.M.A. | | Deposit date: | 2005-10-28 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Crystal structure of the temperature-sensitive and allosteric-defective chaperonin GroEL(E461K).
J.Struct.Biol., 155, 2006
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6L7U
 | | Crystal structure of FKRP in complex with Ba ion, Ba-SAD data | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BARIUM ION, Fukutin-related protein, ... | | Authors: | Kuwabara, N. | | Deposit date: | 2019-11-03 | | Release date: | 2020-01-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
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6L7S
 | | Crystal structure of FKRP in complex with Mg ion, Zinc peak data | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fukutin-related protein, MAGNESIUM ION, ... | | Authors: | Kuwabara, N. | | Deposit date: | 2019-11-03 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
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6L7T
 | | Crystal structure of FKRP in complex with Mg ion, Zinc low remote data | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fukutin-related protein, MAGNESIUM ION, ... | | Authors: | Kuwabara, N. | | Deposit date: | 2019-11-03 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
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3KLT
 | | Crystal structure of a vimentin fragment | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Nicolet, S, Strelkov, S.V. | | Deposit date: | 2009-11-09 | | Release date: | 2010-05-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Atomic structure of vimentin coil 2.
J.Struct.Biol., 170, 2010
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3KSY
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3SWK
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3T5I
 | | Structure of Fully modified farnesylated Rheb Peptide in complex with PDE6D | | Descriptor: | C-terminal Farnesylated Rheb peptide CSQQGKSS(CMT), FARNESYL, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Ismail, S.A, Chen, Y.-X, Wittinghofer, A. | | Deposit date: | 2011-07-27 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Arl2-GTP and Arl3-GTP regulate a GDI-like transport system for farnesylated cargo.
Nat.Chem.Biol., 7, 2011
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1MFD
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3T5G
 | | Structure of fully modified farnesylated Rheb in complex with PDE6D | | Descriptor: | FARNESYL, GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ismail, S.A, Chen, Y.-X, Wittinghofer, A. | | Deposit date: | 2011-07-27 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Arl2-GTP and Arl3-GTP regulate a GDI-like transport system for farnesylated cargo.
Nat.Chem.Biol., 7, 2011
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3SSU
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1MFA
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6TW0
 | | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12690 (an AOPCP derivative, compound 10 in publication) in the closed state | | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | | Authors: | Pippel, J, Strater, N. | | Deposit date: | 2020-01-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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6TWF
 | | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12604 (an AOPCP derivative, compound 21 in publication) in the closed state | | Descriptor: | 5'-nucleotidase, CALCIUM ION, ZINC ION, ... | | Authors: | Pippel, J, Strater, N. | | Deposit date: | 2020-01-13 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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6TVX
 | | Human CD73 (ecto 5'-nucleotidase) in complex with PSB12676 (an AOPCP derivative, compound 9 in paper) in the closed state | | Descriptor: | 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | | Authors: | Pippel, J, Strater, N. | | Deposit date: | 2020-01-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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6TVE
 | | Unliganded human CD73 (5'-nucleotidase) in the open state | | Descriptor: | 5'-nucleotidase, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Scaletti, E, Strater, N. | | Deposit date: | 2020-01-09 | | Release date: | 2020-02-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | 2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
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9FL3
 | | Crystal structure of IL-17A in complex with compound 26 | | Descriptor: | (~{E})-~{N}-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[7-[(1~{S})-2-methoxy-1-[(4~{S})-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide, Interleukin-17A | | Authors: | Rondeau, J.M, Lehmann, S, Scheufler, C. | | Deposit date: | 2024-06-04 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.068 Å) | | Cite: | Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors.
J.Med.Chem., 67, 2024
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9FKX
 | | Crystal structure of IL-17A in complex with compound 18 | | Descriptor: | (4~{S})-1-[(~{R})-[2-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[[5-[1,1-bis(fluoranyl)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropyl-methyl]-4-(trifluoromethyl)imidazolidin-2-one, Interleukin-17A | | Authors: | Rondeau, J.M, Lehmann, S, Scheufler, C. | | Deposit date: | 2024-06-04 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.048 Å) | | Cite: | Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors.
J.Med.Chem., 67, 2024
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