7Z7D
 
 | | Tubulin-Todalam-Vinblastine-complex | | Descriptor: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Roy, B, Prota, A.E, Cavalli, A, Steinmetz, M.O. | | Deposit date: | 2022-03-15 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action.
Angew.Chem.Int.Ed.Engl., 61, 2022
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6O8V
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6FEB
 | | Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1086 | | Descriptor: | (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2017-12-31 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | hPDE4D2 structure with inhibitor NPD-1086
To be published
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7Z0N
 | | Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators | | Descriptor: | CALCIUM ION, GLYCEROL, IODIDE ION, ... | | Authors: | Salgado-Polo, F, Clark, J.M, Macdonald, S.J.F, Barrett, T.N, Perrakis, A, Jamieson, A. | | Deposit date: | 2022-02-23 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design of a Novel Class of Autotaxin Inhibitors Based on Endogenous Allosteric Modulators.
J.Med.Chem., 65, 2022
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7S79
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC PHOSPHONO-MLL PEPTIDE ANALOG | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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7S8I
 | | PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, MONOCLINIC CRYSTAL FORM | | Descriptor: | CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN | | Authors: | Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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7S8J
 | | PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, ORTHORHOMBIC CRYSTAL FORM | | Descriptor: | CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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8HE6
 | | Crystal structure of a fosfomycin and bleomycin resistant protein (ALL3014) from Anabaena/Nostoc cyanobacterium at 1.70 A resolution | | Descriptor: | All3014 protein, CALCIUM ION, MAGNESIUM ION | | Authors: | Chatterjee, A, Singh, P.K, Singh, T.P, Marina, A, Sharma, S, Rai, L.C. | | Deposit date: | 2022-11-07 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a fosfomycin and bleomycin resistant protein (ALL3014) from Anabaena/Nostoc cyanobacterium at 1.70 A resolution
To Be Published
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5JH0
 | | Crystal structure of the mitochondrial DNA packaging protein Abf2p in complex with DNA at 2.18 Angstrom resolution | | Descriptor: | ARS-binding factor 2, mitochondrial, DNA (5'-D(*AP*AP*TP*AP*AP*TP*AP*AP*AP*TP*TP*AP*TP*AP*TP*AP*AP*TP*AP*TP*AP*A)-3'), ... | | Authors: | Chakraborty, A, Lyonnais, S, Sola, M. | | Deposit date: | 2016-04-20 | | Release date: | 2017-02-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | DNA structure directs positioning of the mitochondrial genome packaging protein Abf2p.
Nucleic Acids Res., 45, 2017
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7S8E
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE AND BOUND GLYCEROL | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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6RKC
 | | Inter-dimeric interface controls function and stability of S-methionine adenosyltransferase from U. urealiticum | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, MAGNESIUM ION, Methionine adenosyltransferase, ... | | Authors: | Shahar, A, Zarivach, R, Bershtein, S, Kleiner, D, Shmulevich, F. | | Deposit date: | 2019-04-30 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
J.Mol.Biol., 431, 2019
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7S7D
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC SULFO-MLL PEPTIDE ANALOG | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-15 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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6EVA
 | | Structure of E277Q A. niger fdc1 in complex with a phenylpyruvate derived adduct to the prenylated flavin cofactor | | Descriptor: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1 ,8-fg]pteridin-7-yl]-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ... | | Authors: | Bailey, S.S, David, L, Payne, K.A.P. | | Deposit date: | 2017-11-01 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerization, and catalysis.
J. Biol. Chem., 293, 2018
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7S8F
 | | STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE AND BOUND GLYCEROL | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M. | | Deposit date: | 2021-09-17 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
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5IW7
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6F3R
 | | The crystal structure of Glycogen Phosphorylase in complex with 10c | | Descriptor: | (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | | Authors: | Kyriakis, E, Barkas, T.A, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2017-11-28 | | Release date: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A multidisciplinary study of 3-( beta-d-glucopyranosyl)-5-substituted-1,2,4-triazole derivatives as glycogen phosphorylase inhibitors: Computation, synthesis, crystallography and kinetics reveal new potent inhibitors.
Eur J Med Chem, 147, 2018
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6MPP
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6F48
 | | Structure of quinolinate synthase with reaction intermediates X and Y | | Descriptor: | 2-imino,3-carboxy,5-hydroxy,6-oxo hexanoic acid, 5-hydroxy,-4,5-dihydroquinolinate, CHLORIDE ION, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2017-11-29 | | Release date: | 2018-04-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
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6UUR
 | | Human prion protein fibril, M129 variant | | Descriptor: | Major prion protein | | Authors: | Glynn, C, Sawaya, M.R, Ge, P, Zhou, Z.H, Rodriguez, J.A. | | Deposit date: | 2019-10-31 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of a human prion fibril with a hydrophobic, protease-resistant core.
Nat.Struct.Mol.Biol., 27, 2020
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7RX9
 | | Structure of autoinhibited P-Rex1 | | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein, Endolysin chimera, SULFATE ION | | Authors: | Ellisdon, A.M, Chang, Y. | | Deposit date: | 2021-08-22 | | Release date: | 2022-08-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Structure of the metastatic factor P-Rex1 reveals a two-layered autoinhibitory mechanism.
Nat.Struct.Mol.Biol., 29, 2022
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6RP2
 | | Threonine to Cysteine (T225C) variant of E coli hydrogenase-1 | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Carr, S.B, Armstrong, F.A, Zhang, L. | | Deposit date: | 2019-05-13 | | Release date: | 2020-03-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Aerobic Photocatalytic H2Production by a [NiFe] Hydrogenase Engineered to Place a Silver Nanocluster in the Electron Relay.
J.Am.Chem.Soc., 142, 2020
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6P6M
 | | HCV NS3/4A protease domain of genotype 1a C159 in complex with glecaprevir | | Descriptor: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, CHLORIDE ION, ... | | Authors: | Timm, J, Schiffer, C.A. | | Deposit date: | 2019-06-04 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
To Be Published
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6UV0
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6MLR
 | | Cryo-EM structure of microtubule-bound Kif7 in the AMPPNP state | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF7, ... | | Authors: | Mani, N, Jiang, S, Wilson-Kubalek, E.M, Ku, P, Milligan, R.A, Subramanian, R. | | Deposit date: | 2018-09-27 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Interplay between the Kinesin and Tubulin Mechanochemical Cycles Underlies Microtubule Tip Tracking by the Non-motile Ciliary Kinesin Kif7.
Dev.Cell, 49, 2019
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6UXJ
 | | Structure of serine hydroxymethyltransferase 8 from Glycine max cultivar Essex complexed with PLP-glycine and 5-formyltetrahydrofolate | | Descriptor: | 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ... | | Authors: | Korasick, D.A, Tanner, J.J, Beamer, L.J. | | Deposit date: | 2019-11-07 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Impaired folate binding of serine hydroxymethyltransferase 8 from soybean underlies resistance to the soybean cyst nematode.
J.Biol.Chem., 295, 2020
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