8GDY
| Crystal structure of the human PDI first domain with 9 mutations | Descriptor: | 1,2-ETHANEDIOL, Protein disulfide-isomerase, THIOCYANATE ION | Authors: | Forouhar, F, Banayan, N.E, Loughlin, B.L, Singh, S, Wong, V, Hunt, H.S, Handelman, S.K, Price, N, Hunt, J.F. | Deposit date: | 2023-03-06 | Release date: | 2024-01-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Systematic enhancement of protein crystallization efficiency by bulk lysine-to-arginine (KR) substitution. Protein Sci., 33, 2024
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6TLK
| Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in an open conformation containing NADP+ and methylene-H4MPT | Descriptor: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, CHLORIDE ION, ... | Authors: | Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S. | Deposit date: | 2019-12-02 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase. J.Mol.Biol., 432, 2020
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7R3X
| The crystal structure of the L439V variant of Pol2CORE in complex with DNA and an incoming nucleotide | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ACETATE ION, CALCIUM ION, ... | Authors: | Barbari, S.R, Beach, A.K, Markgren, J.G, Parkash, V, Johansson, E, Shcherbakova, P.V. | Deposit date: | 2022-02-08 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Enhanced polymerase activity permits efficient synthesis by cancer-associated DNA polymerase ε variants at low dNTP levels. Nucleic Acids Res., 50, 2022
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7R0T
| Crystal structure of exonuclease ExnV1 | Descriptor: | CHLORIDE ION, Exonuclease ExnV1, MAGNESIUM ION, ... | Authors: | Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Linares-Pasten, J.A, Wang, L, Nordberg Karlsson, E, Ahlqvist, J. | Deposit date: | 2022-02-02 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Crystal structure of DNA polymerase I from Thermus phage G20c. Acta Crystallogr D Struct Biol, 78, 2022
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6TI7
| Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils | Descriptor: | Amyloid-beta precursor protein | Authors: | Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C. | Deposit date: | 2019-11-21 | Release date: | 2020-07-22 | Last modified: | 2024-06-19 | Method: | SOLID-STATE NMR | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils. Chem.Commun.(Camb.), 56, 2020
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7R3Y
| The crystal structure of the V426L variant of Pol2CORE in complex with DNA and an incoming nucleotide | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA Primer, ... | Authors: | Barbari, S.R, Beach, A.K, Markgren, J.G, Parkash, V, Johansson, E, Shcherbakova, P.V. | Deposit date: | 2022-02-08 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Enhanced polymerase activity permits efficient synthesis by cancer-associated DNA polymerase ε variants at low dNTP levels. Nucleic Acids Res., 50, 2022
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8DYV
| Structure of human cytoplasmic dynein-1 bound to one Lis1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ... | Authors: | Reimer, J.M, DeSantis, M, Reck-Peterson, S.L, Leschziner, A.E. | Deposit date: | 2022-08-05 | Release date: | 2023-02-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | Structures of human dynein in complex with the lissencephaly 1 protein, LIS1. Elife, 12, 2023
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6T48
| Bovine enterovirus F3 in complex with glutathione and a Cysteinylglycine dipeptide | Descriptor: | CHLORIDE ION, CYSTEINE, GLUTATHIONE, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | Deposit date: | 2019-10-12 | Release date: | 2020-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Glutathione facilitates enterovirus assembly by binding at a druggable pocket. Commun Biol, 3, 2020
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8DYU
| Structure of human cytoplasmic dynein-1 bound to two Lis1 proteins | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ... | Authors: | Reimer, J.M, DeSantis, M, Reck-Peterson, S.L, Leschziner, A.E. | Deposit date: | 2022-08-05 | Release date: | 2023-02-01 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of human dynein in complex with the lissencephaly 1 protein, LIS1. Elife, 12, 2023
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8GAG
| Cannabinoid receptor 1-Gi complex with novel ligand | Descriptor: | Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Tummino, T.A, Iliopoulos-Tsoutsouvas, C, Braz, J.M, O'Brien, E.S, Krishna Kumar, K, Makriyannis, M, Basbaum, A.I, Shoichet, B.K. | Deposit date: | 2023-02-22 | Release date: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cannabinoid receptor 1-Gi complex with novel ligand To Be Published
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6TCW
| Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 with Man5GlcNAc product | Descriptor: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase F1, GLYCEROL, ... | Authors: | Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E. | Deposit date: | 2019-11-06 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides. Nat Commun, 11, 2020
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5LWQ
| CeuE (H227L variant) a periplasmic protein from Campylobacter jejuni | Descriptor: | BROMIDE ION, Enterochelin uptake periplasmic binding protein, SODIUM ION | Authors: | Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2016-09-19 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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6OWO
| CRYO-EM STRUCTURE OF PHOSPHORYLATED AP-2 CORE BOUND TO NECAP | Descriptor: | AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | Authors: | Partlow, E.A, Baker, R.W, Beacham, G.M, Chappie, J.S, Leschziner, A.E, Hollopeter, G. | Deposit date: | 2019-05-10 | Release date: | 2019-09-11 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A structural mechanism for phosphorylation-dependent inactivation of the AP2 complex. Elife, 8, 2019
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6OXT
| HIV-1 Protease NL4-3 WT in Complex with LR-84 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.861 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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6OY0
| HIV-1 Protease NL4-3 WT in Complex with LR2-21 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-05-14 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J.Med.Chem., 62, 2019
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5M5A
| Crystal structure of MELK in complex with an inhibitor | Descriptor: | CHLORIDE ION, K-252A, Maternal embryonic leucine zipper kinase, ... | Authors: | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | Deposit date: | 2016-10-21 | Release date: | 2017-12-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The target landscape of clinical kinase drugs. Science, 358, 2017
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6FRM
| Crystal Structure of coenzyme F420H2 oxidase (FprA) co-crystallized with 10 mM Tb-Xo4 | Descriptor: | CHLORIDE ION, Coenzyme F420H2 oxidase (FprA), FE (III) ION, ... | Authors: | Engilberge, S, Riobe, F, Wagner, T, Di Pietro, S, Shima, S, Girard, E, Dumont, E, Maury, O. | Deposit date: | 2018-02-16 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography. Chemistry, 24, 2018
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6ZIE
| Crystal structure of MCL-1 in complex with a neutralizing Alphabody CMPX-383B | Descriptor: | CMPX-383B, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Pannecoucke, E, Savvides, S.N, Desmet, J, Lasters, I. | Deposit date: | 2020-06-25 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cell-penetrating Alphabody protein scaffolds for intracellular drug targeting. Sci Adv, 7, 2021
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6TXC
| Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A. | Deposit date: | 2020-01-14 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis. Nat Commun, 11, 2020
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1HBI
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6Q8T
| Cryo structure of HEWL at 81 kGy | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C | Authors: | de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M. | Deposit date: | 2018-12-16 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74008667 Å) | Cite: | Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures. Proc.Natl.Acad.Sci.USA, 117, 2020
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5WGQ
| Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-BCP1 | Descriptor: | ESTRADIOL, Estrogen receptor, SRC2-BCP1 | Authors: | Fanning, S.W, Speltz, T.E, Mayne, C.G, Siddiqui, Z, Greene, G.L, Tajkhorshid, E, Moore, T.W. | Deposit date: | 2017-07-14 | Release date: | 2018-06-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A "cross-stitched" peptide with improved helicity and proteolytic stability. Org. Biomol. Chem., 16, 2018
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1HGH
| BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY | Descriptor: | 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ... | Authors: | Sauter, N.K, Hanson, J.E, Glick, G.D, Brown, J.H, Crowther, R.L, Park, S.-J, Skehel, J.J, Wiley, D.C. | Deposit date: | 1991-11-01 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography. Biochemistry, 31, 1992
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8DY4
| Crystal Structure of spFv CAT2200 HL | Descriptor: | spFv CAT2200 HL | Authors: | Luo, J, Boucher, L.E. | Deposit date: | 2022-08-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | "Stapling" scFv for multispecific biotherapeutics of superior properties. Mabs, 15, 2023
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8DY0
| Crystal Structure of spFv GLK1 HL | Descriptor: | spFv GLK1 HL | Authors: | Luo, J, Boucher, L.E. | Deposit date: | 2022-08-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | "Stapling" scFv for multispecific biotherapeutics of superior properties. Mabs, 15, 2023
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