1TR0
 
 | | Crystal Structure of a boiling stable protein SP1 | | Descriptor: | GLYCEROL, stable protein 1 | | Authors: | Almog, O, Gonzalez, A, Sofer, O, Dgany, O, Shoseyov, O. | | Deposit date: | 2004-06-18 | | Release date: | 2004-09-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structural basis of the thermostability of SP1, a novel plant (Populus tremula) boiling stable protein
J.Biol.Chem., 279, 2004
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197L
 | | THERMODYNAMIC AND STRUCTURAL COMPENSATION IN "SIZE-SWITCH" CORE-REPACKING VARIANTS OF T4 LYSOZYME | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME | | Authors: | Baldwin, E, Xu, J, Hajiseyedjavadi, O, Matthews, B.W. | | Deposit date: | 1995-11-06 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Thermodynamic and structural compensation in "size-switch" core repacking variants of bacteriophage T4 lysozyme.
J.Mol.Biol., 259, 1996
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1ALQ
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3EP1
 | | Structure of the PGRP-Hd from Alvinella pompejana | | Descriptor: | PGRP-Hd - Peptidoglycan recognition protein homologue | | Authors: | Delfosse, V, Gagniere, N, Perrodou, E, Poch, O, Lecompte, O, Mayer, C. | | Deposit date: | 2008-09-29 | | Release date: | 2009-09-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the PGRP-Hd from Alvinella pompejana
To be Published
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5APP
 | | Actinobacillus actinomycetemcomitans OMP100 residues 133-198 fused to GCN4 adaptors | | Descriptor: | CHLORIDE ION, General control protein GCN4,GENERAL CONTROL PROTEIN GCN4, OUTER MEMBRANE PROTEIN 100,General control protein GCN4 | | Authors: | Hartmann, M.D, Ridderbusch, O, Lupas, A.N, Hernandez Alvarez, B. | | Deposit date: | 2015-09-17 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | alpha / beta coiled coils.
Elife, 5, 2016
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9FGR
 | | SARS-CoV-2 (wuhan variant) Spike protein in complex with the single chain fragment scFv76-77 (focused refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, scFv76-77 single chain fragment | | Authors: | Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of scFv76-77 in complex with SARS-CoV-2 Spike protein
To Be Published
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9FGS
 | | SARS-CoV-2 (wuhan variant) Spike protein in complex with the single chain fragment scFv41N (focused refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Single Chain fragment scFv41N, Spike glycoprotein,Fibritin | | Authors: | Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of scFv41N in complex with SARS-CoV-2 Spike protein
To Be Published
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5BN1
 | | Structure of Axe2-W215I, an acetyl xylan esterase from Geobacillus stearothermophilus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetyl xylan esterase, CHLORIDE ION, ... | | Authors: | Lansky, S, Alalouf, O, Shoham, Y, Shoham, G. | | Deposit date: | 2015-05-25 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A unique octameric structure of Axe2, an intracellular acetyl-xylooligosaccharide esterase from Geobacillus stearothermophilus
To Be Published
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9FGU
 | | SARS-CoV-2 (B.1.1.529/Omicron variant) Spike protein in complex with the single chain fragment scFv76-77 (focused refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, scFv76-77 single chain fragment | | Authors: | Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of scFv76-77 in complex with SARS-CoV-2 Omicron Spike protein
To Be Published
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7SHW
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5B2X
 | | Crystal Structure of P450BM3 mutant with N-perfluoroheptanoyl-L-tryptophan | | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2016-02-03 | | Release date: | 2017-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of P450BM3 with decoy molecules
to be published
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5Y5L
 | | Time-resolved SFX structure of cytochrome P450nor: dark-2 data in the absence of NADH (resting state) | | Descriptor: | NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | | Deposit date: | 2017-08-09 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
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7SF8
 | | GPR56 (ADGRG1) 7TM domain bound to tethered agonist in complex with G protein heterotrimer | | Descriptor: | G protein subunit 13 (Gi2-mini-G13 chimera), 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: | Barros-Alvarez, X, Panova, O, Skiniotis, G. | | Deposit date: | 2021-10-03 | | Release date: | 2022-04-27 | | Last modified: | 2022-05-11 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | The tethered peptide activation mechanism of adhesion GPCRs.
Nature, 604, 2022
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7SF7
 | | LPHN3 (ADGRL3) 7TM domain bound to tethered agonist in complex with G protein heterotrimer | | Descriptor: | G protein subunit 13 (Gi2-mini-G13 chimera), 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: | Barros-Alvarez, X, Panova, O, Skiniotis, G. | | Deposit date: | 2021-10-03 | | Release date: | 2022-04-27 | | Last modified: | 2022-05-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The tethered peptide activation mechanism of adhesion GPCRs.
Nature, 604, 2022
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9FGT
 | | SARS-CoV-2 (B.1.1.529/Omicron variant) Spike protein in complex with the single chain fragment scFv76 (focused refinement) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain fragment scFv76, Spike glycoprotein,Fibritin | | Authors: | Berlinguer, M, Chaves-Sanjuan, A, Milazzo, F.M, Minenkova, O, De Santis, R, Bolognesi, M. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of scFv76 in complex with SARS-CoV-2 Omicron Spike protein
To Be Published
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5B2Q
 | | Crystal structure of Francisella novicida Cas9 RHA in complex with sgRNA and target DNA (TGG PAM) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Hirano, H, Nishimasu, H, Nakane, T, Ishitani, R, Nureki, O. | | Deposit date: | 2016-02-01 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and Engineering of Francisella novicida Cas9
Cell, 164, 2016
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5B43
 | | Crystal structure of Acidaminococcus sp. Cpf1 in complex with crRNA and target DNA | | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cpf1, DNA (34-MER), ... | | Authors: | Yamano, T, Nishimasu, H, Hirano, H, Nakane, T, Ishitani, R, Nureki, O. | | Deposit date: | 2016-03-30 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Cpf1 in Complex with Guide RNA and Target DNA
Cell, 165, 2016
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5BNW
 | | The active site of O-GlcNAc transferase imposes constraints on substrate sequence | | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, laminB1 residues 179-191 | | Authors: | Pathak, S, Alonso, J, Schimpl, M, Rafie, K, Blair, D.E, Borodkin, V.S, Albarbarawi, O, van Aalten, D.M.F. | | Deposit date: | 2015-05-26 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
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5Y5I
 | | Time-resolved SFX structure of cytochrome P450nor: 20 ms after photo-irradiation of caged NO in the presence of NADH (NO-bound state), light data | | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | | Authors: | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | | Deposit date: | 2017-08-09 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
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7RUH
 | | Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844 | | Descriptor: | Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | | Authors: | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | | Deposit date: | 2021-08-17 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844
To Be Published
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7RUI
 | | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844 | | Descriptor: | Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | | Authors: | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | | Deposit date: | 2021-08-17 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844
To Be Published
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5AXW
 | | Crystal structure of Staphylococcus aureus Cas9 in complex with sgRNA and target DNA (TTGGGT PAM) | | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, DNA (28-MER), ... | | Authors: | Nishimasu, H, Ishitani, R, Nureki, O. | | Deposit date: | 2015-08-01 | | Release date: | 2015-09-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of Staphylococcus aureus Cas9.
Cell, 162, 2015
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7S25
 | | ROCK1 IN COMPLEX WITH LIGAND G4998 | | Descriptor: | 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide, CHLORIDE ION, Rho-associated protein kinase 1 | | Authors: | Ganichkin, O, Harris, S.F, Steinbacher, S. | | Deposit date: | 2021-09-03 | | Release date: | 2022-10-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.337 Å) | | Cite: | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.
Nat Commun, 13, 2022
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7S26
 | | ROCK1 IN COMPLEX WITH LIGAND G5018 | | Descriptor: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Rho-associated protein kinase 1 | | Authors: | Ganichkin, O, Harris, S.F, Steinbacher, S. | | Deposit date: | 2021-09-03 | | Release date: | 2022-10-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.744 Å) | | Cite: | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.
Nat Commun, 13, 2022
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5B2Y
 | | Crystal Structure of P450BM3 with N-perfluorodecanoyl-L-tryptophan | | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecakis(fluoranyl)decanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2016-02-07 | | Release date: | 2017-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystal Structure of P450BM3 with decoy molecules
to be published
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