7LMX
 
 | | A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE | | Descriptor: | Integrin inhibitor | | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | Deposit date: | 2021-02-06 | | Release date: | 2022-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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7LMV
 | | SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 | | Descriptor: | Integrin inhibitor | | Authors: | Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D. | | Deposit date: | 2021-02-05 | | Release date: | 2022-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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6HUP
 | | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with diazepam (Valium), GABA and megabody Mb38. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, GAMMA-AMINO-BUTANOIC ACID, ... | | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
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3BCP
 | | Crystal Structure of The Swapped non covalent form of P19A/L28Q/N67D BS-RNase | | Descriptor: | Seminal ribonuclease | | Authors: | Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F. | | Deposit date: | 2007-11-13 | | Release date: | 2008-02-12 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme
J.Mol.Biol., 376, 2008
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6XVJ
 | | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor | | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | Authors: | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | Deposit date: | 2020-01-22 | | Release date: | 2020-05-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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1LS4
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2BRZ
 | | SOLUTION NMR STRUCTURE OF THE SWEET PROTEIN BRAZZEIN, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BRAZZEIN | | Authors: | Caldwell, J.E, Abildgaard, F, Dzakula, Z, Ming, D, Hellekant, G, Markley, J.L. | | Deposit date: | 1998-04-30 | | Release date: | 1998-07-01 | | Last modified: | 2019-12-25 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the thermostable sweet-tasting protein brazzein.
Nat.Struct.Biol., 5, 1998
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7PII
 | | Structure of the human CCAN CENP-A alpha-satellite complex | | Descriptor: | Centromere protein C, DNA (122-MER), DNA (123-MER), ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Barford, D. | | Deposit date: | 2021-08-19 | | Release date: | 2022-05-25 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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6ZS5
 | | 3.5 A cryo-EM structure of human uromodulin filament core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Stanisich, J.J, Zyla, D, Afanasyev, P, Xu, J, Pilhofer, M, Boeringer, D, Glockshuber, R. | | Deposit date: | 2020-07-15 | | Release date: | 2020-09-02 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The cryo-EM structure of the human uromodulin filament core reveals a unique assembly mechanism.
Elife, 9, 2020
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3GF7
 | | Glutaconyl-coA decarboxylase A subunit from Clostridium symbiosum apoprotein | | Descriptor: | Glutaconyl-CoA decarboxylase subunit A, SULFATE ION | | Authors: | Kress, D, Brugel, D, Buckel, W, Essen, L.-O. | | Deposit date: | 2009-02-26 | | Release date: | 2009-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An asymmetric model for Na+-translocating glutaconyl-CoA decarboxylases
J.Biol.Chem., 284, 2009
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7QHW
 | | TTBK1 kinase domain in complex with inhibitor 29 | | Descriptor: | GLYCEROL, SULFATE ION, Tau-tubulin kinase 1, ... | | Authors: | Nozal, V, Liehta, D. | | Deposit date: | 2021-12-14 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
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7QTK
 | | SARS-CoV-2 S Omicron Spike B.1.1.529 - RBD down - 1-P2G3 Fab (Local) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P2G3 Heavy Chain, P2G3 Light Chain, ... | | Authors: | Ni, D, Lau, K, Turelli, P, Fenwick, C, Perez, L, Pojer, F, Stahlberg, H, Pantaleo, G, Trono, D. | | Deposit date: | 2022-01-14 | | Release date: | 2022-08-03 | | Last modified: | 2022-09-07 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Patient-derived monoclonal antibody neutralizes SARS-CoV-2 Omicron variants and confers full protection in monkeys.
Nat Microbiol, 7, 2022
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6U1S
 | | Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R. | | Descriptor: | de novo designed 16-helix transmembrane nanopore, TMHC8_R | | Authors: | Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J. | | Deposit date: | 2019-08-16 | | Release date: | 2020-08-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (7.6 Å) | | Cite: | Computational Design of Transmembrane Channels
To Be Published
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6K4D
 | | Ancestral luciferase AncLamp in complex with ATP and D-luciferin | | Descriptor: | (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, Ancestral luciferase AncLamp, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate | | Authors: | Oba, Y, Konishi, K, Yano, D, Kato, D, Shirai, T. | | Deposit date: | 2019-05-23 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Resurrecting the ancient glow of the fireflies.
Sci Adv, 6, 2020
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7P4L
 | | Crystal structure of the trimeric ectodomain of archaeal Fusexin1 (Fsx1) | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fusexin1, ... | | Authors: | Nishio, S, Tunyasuvunakool, K, Jumper, J, De Sanctis, D, Jovine, L. | | Deposit date: | 2021-07-12 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of archaeal fusexins homologous to eukaryotic HAP2/GCS1 gamete fusion proteins.
Nat Commun, 13, 2022
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1LQT
 | | A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a Mycobacterium tuberculosis oxidoreductase | | Descriptor: | 4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Bossi, R.T, Aliverti, A, Raimondi, D, Fischer, F, Zanetti, G, Ferrari, D, Tahallah, N, Maier, C.S, Heck, A.J.R, Rizzi, M, Mattevi, A, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2002-05-13 | | Release date: | 2002-07-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a Mycobacterium tuberculosis oxidoreductase.
Biochemistry, 41, 2002
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7R5S
 | | Structure of the human CCAN bound to alpha satellite DNA | | Descriptor: | Centromere protein H, Centromere protein I, Centromere protein K, ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | | Deposit date: | 2022-02-11 | | Release date: | 2022-04-27 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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7R5R
 | | Structure of the human CCAN CENP-A alpha-satellite complex | | Descriptor: | Centromere protein C, DNA (171-MER), Histone H2A type 1-C, ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | | Deposit date: | 2022-02-11 | | Release date: | 2022-04-27 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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7R5V
 | | Structure of the human CCAN CENP-A alpha-satellite complex | | Descriptor: | Centromere protein H, Centromere protein I, Centromere protein K, ... | | Authors: | Yatskevich, S, Muir, K.W, Bellini, D, Zhang, Z, Yang, J, Tischer, T, Predin, M, Dendooven, T, McLaughlin, S.H, Barford, D. | | Deposit date: | 2022-02-11 | | Release date: | 2022-04-27 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
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5MQ7
 | | Structure of AaLS-13 | | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | | Authors: | Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D. | | Deposit date: | 2016-12-20 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.2 Å) | | Cite: | Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
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1JUI
 | | CONCANAVALIN A-CARBOHYDRATE MIMICKING 10-MER PEPTIDE COMPLEX | | Descriptor: | 10-mer Peptide, CALCIUM ION, Concanavalin-Br, ... | | Authors: | Jain, D, Kaur, K.J, Salunke, D.M. | | Deposit date: | 2001-08-24 | | Release date: | 2002-08-24 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Plasticity in protein-peptide recognition: crystal structures of two different peptides bound to concanavalin A.
Biophys.J., 80, 2001
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7A5O
 | | Human MUC2 AAs 21-1397 | | 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: | Javitt, G, Khmelnitsky, L, Albert, L, Elad, N, Ilani, T, Diskin, R, Fass, D. | | Deposit date: | 2020-08-21 | | Release date: | 2020-10-21 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Cell, 183, 2020
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1H6O
 | | Dimerisation domain from human TRF1 | | Descriptor: | TELOMERIC REPEAT BINDING FACTOR 1 | | Authors: | Fairall, L, Chapman, L, Rhodes, D. | | Deposit date: | 2001-06-20 | | Release date: | 2001-09-05 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the TRFH dimerization domain of the human telomeric proteins TRF1 and TRF2.
Mol.Cell, 8, 2001
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6I7E
 | | Plasmodium falciparum Myosin A, Pre-powerstroke | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-A, ... | | Authors: | Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A. | | Deposit date: | 2018-11-16 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.492 Å) | | Cite: | Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism.
Nat Commun, 10, 2019
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6GUS
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