3NLS
 
 | | Crystal Structure of HIV-1 Protease in Complex with KNI-10772 | | Descriptor: | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Gabelli, S.B, Kawasaki, Y, Freire, E, Amzel, L.M. | | Deposit date: | 2010-06-21 | | Release date: | 2011-09-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of HIV-1 Protease in Complex with KNI-10772
To be Published
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4FRU
 | | Crystal structure of horse wild-type cyclophilin B | | Descriptor: | 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase, ... | | Authors: | Boudko, S.P, Ishikawa, Y, Bachinger, H.P. | | Deposit date: | 2012-06-26 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structures of wild-type and mutated cyclophilin B that causes hyperelastosis cutis in the American quarter horse.
BMC Res Notes, 5, 2012
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1J3U
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4FRV
 | | Crystal structure of mutated cyclophilin B that causes hyperelastosis cutis in the American Quarter Horse | | Descriptor: | 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase, ... | | Authors: | Boudko, S.P, Ishikawa, Y, Bachinger, H.P. | | Deposit date: | 2012-06-26 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structures of wild-type and mutated cyclophilin B that causes hyperelastosis cutis in the American quarter horse.
BMC Res Notes, 5, 2012
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3W2S
 | | EGFR kinase domain with compound4 | | Descriptor: | 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor, SULFATE ION | | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | | Deposit date: | 2012-12-03 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
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3W32
 | | EGFR kinase domain complexed with compound 20a | | Descriptor: | 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | | Authors: | Sogabe, S, Kawakita, Y. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
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3W2O
 | | EGFR Kinase domain T790M/L858R Mutant with TAK-285 | | Descriptor: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | | Deposit date: | 2012-12-03 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
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5AXR
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5AYA
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5B15
 | | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase, SODIUM ION, ... | | Authors: | Wachino, J, Arakawa, Y. | | Deposit date: | 2015-11-23 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem
To Be Published
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3W2R
 | | EGFR Kinase domain T790M/L858R mutant with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor | | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | | Deposit date: | 2012-12-03 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
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3W2P
 | | EGFR Kinase domain T790M/L858R mutant with compound 2 | | Descriptor: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide | | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | | Deposit date: | 2012-12-03 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
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7WBX
 | | RNA polymerase II elongation complex bound with Elf1 and Spt4/5, stalled at SHL(-3) of the nucleosome | | Descriptor: | DNA (198-MER), DNA-directed RNA polymerase subunit, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Osumi, K, Kujirai, T, Ehara, H, Sekine, S, Takizawa, Y, Kurumizaka, H. | | Deposit date: | 2021-12-17 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural Basis of Damaged Nucleotide Recognition by Transcribing RNA Polymerase II in the Nucleosome.
J.Mol.Biol., 435, 2023
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7WBW
 | | RNA polymerase II elongation complex bound with Elf1 and Spt4/5, stalled at SHL(-3.5) of the nucleosome | | Descriptor: | DNA (198-MER), DNA-directed RNA polymerase subunit, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Osumi, K, Kujirai, T, Ehara, H, Sekine, S, Takizawa, Y, Kurumizaka, H. | | Deposit date: | 2021-12-17 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (7.1 Å) | | Cite: | Structural Basis of Damaged Nucleotide Recognition by Transcribing RNA Polymerase II in the Nucleosome.
J.Mol.Biol., 435, 2023
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7WBV
 | | RNA polymerase II elongation complex bound with Elf1 and Spt4/5, stalled at SHL(-4) of the nucleosome | | Descriptor: | DNA (159-MER), DNA (198-MER), DNA-directed RNA polymerase subunit, ... | | Authors: | Osumi, K, Kujirai, T, Ehara, H, Sekine, S, Takizawa, Y, Kurumizaka, H. | | Deposit date: | 2021-12-17 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural Basis of Damaged Nucleotide Recognition by Transcribing RNA Polymerase II in the Nucleosome.
J.Mol.Biol., 435, 2023
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7C0M
 | | Human cGAS-nucleosome complex | | Descriptor: | Cyclic GMP-AMP synthase, DNA (145-MER), Histone H2A type 1-B/E, ... | | Authors: | Kujirai, T, Zierhut, C, Takizawa, Y, Kim, R, Negishi, L, Uruma, N, Hirai, S, Funabiki, H, Kurumizaka, H. | | Deposit date: | 2020-05-01 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis for the inhibition of cGAS by nucleosomes.
Science, 370, 2020
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3W2Q
 | | EGFR kinase domain T790M/L858R mutant with HKI-272 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide | | Authors: | Sogabe, S, Kawakita, Y, Igaki, S. | | Deposit date: | 2012-12-03 | | Release date: | 2013-01-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
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3W33
 | | EGFR kinase domain complexed with compound 19b | | Descriptor: | 4-{[4-(1-benzothiophen-4-yloxy)-3-chlorophenyl]amino}-N-(2-hydroxyethyl)-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epidermal growth factor receptor, SULFATE ION | | Authors: | Sogabe, S, Kawakita, Y. | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors
Bioorg.Med.Chem., 21, 2013
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4BGW
 | | Crystal Structure of H5 (VN1194) Influenza Haemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xiong, X, Coombs, P, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2013-03-29 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus.
Nature, 497, 2013
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4BH3
 | | Haemagglutinin from a Transmissible Mutant H5 Influenza Virus in Complex with Human Receptor Analogue 6'-SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ... | | Authors: | Xiong, X, Coombs, P.J, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2013-03-29 | | Release date: | 2013-04-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus
Nature, 497, 2013
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4BH4
 | | Haemagglutinin from a Transmissible Mutant H5 Influenza Virus in Complex with Avian Receptor Analogue 3'-SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ... | | Authors: | Xiong, X, Coombs, P.J, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2013-03-29 | | Release date: | 2013-04-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus
Nature, 497, 2013
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2P9D
 | | Crystal structure of PH0725 from Pyrococcus horikoshii OT3 | | Descriptor: | FORMIC ACID, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Yamamoto, H, Taketa, M, Morikawa, Y, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-25 | | Release date: | 2007-09-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of PH0725 from Pyrococcus horikoshii OT3
To be Published
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4BH2
 | | Crystal Structure of the Haemagglutinin from a Transmissible Mutant H5 Influenza Virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ... | | Authors: | Xiong, X, Coombs, P.J, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2013-03-29 | | Release date: | 2013-04-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus
Nature, 497, 2013
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4BGY
 | | H5 (VN1194) Influenza Virus Haemagglutinin in Complex with Avian Receptor Analogue 3'-SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ... | | Authors: | Xiong, X, Coombs, P, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2013-03-29 | | Release date: | 2013-04-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus.
Nature, 497, 2013
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4BGX
 | | H5 (VN1194) Influenza Virus Haemagglutinin in Complex with Human Receptor Analogue 6'-SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEMAGGLUTININ, ... | | Authors: | Xiong, X, Coombs, P, Martin, S.R, Liu, J, Xiao, H, McCauley, J.W, Locher, K, Walker, P.A, Collins, P.J, Kawaoka, Y, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2013-03-29 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Receptor Binding by a Ferret-Transmissible H5 Avian Influenza Virus.
Nature, 497, 2013
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