8AZZ
| KRAS-G12V in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZV
| KRAS in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZR
| KRAS in complex with precursor 1 | Descriptor: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8B00
| KRAS-G13D in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZY
| KRAS-G12D in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZX
| KRAS-G12C in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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6T8K
| Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with Man9GlcNAc product in P1 | Descriptor: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase F1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E. | Deposit date: | 2019-10-24 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides. Nat Commun, 11, 2020
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6TCV
| Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with Man9GlcNAc2Asn substrate | Descriptor: | ASPARAGINE, 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 (1.311 Å) | Cite: | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides. Nat Commun, 11, 2020
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6T8I
| Crystal structure of wild type EndoBT-3987 from Bacteroides thetaiotamicron VPI-5482 | Descriptor: | 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: | 2019-10-24 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides. Nat Commun, 11, 2020
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6T8L
| Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 with Man9GlcNAc product in P212121 | Descriptor: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase F1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E. | Deposit date: | 2019-10-24 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides. Nat Commun, 11, 2020
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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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4QO7
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4QO8
| Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104 | Descriptor: | (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Eigenbrot, C, Ultsch, M. | Deposit date: | 2014-06-19 | Release date: | 2014-07-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
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2I5X
| Engineering the PTPbeta catalytic domain with improved crystallization properties | Descriptor: | (4-ETHYLPHENYL)SULFAMIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Klopfenstein, S. | Deposit date: | 2006-08-26 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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1KHX
| Crystal structure of a phosphorylated Smad2 | Descriptor: | Smad2 | Authors: | Wu, J.-W, Hu, M, Chai, J, Seoane, J, Huse, M, Kyin, S, Muir, T.W, Fairman, R, Massague, J, Shi, Y. | Deposit date: | 2001-12-01 | Release date: | 2002-02-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a phosphorylated Smad2. Recognition of phosphoserine by the MH2 domain and insights on Smad function in TGF-beta signaling. Mol.Cell, 8, 2001
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2I3U
| Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | Descriptor: | Receptor-type tyrosine-protein phosphatase beta | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-08-20 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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2I4E
| Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | Descriptor: | Receptor-type tyrosine-protein phosphatase beta, VANADATE ION | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-08-21 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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2I3R
| Engineered catalytic domain of protein tyrosine phosphatase HPTPbeta | Descriptor: | CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-08-20 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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2I4G
| Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with a sulfamic acid (soaking experiment) | Descriptor: | CHLORIDE ION, N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE, Receptor-type tyrosine-protein phosphatase beta | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-08-21 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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7CO7
| HtrA-type protease AlgWS227A with decapeptide | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, AlgW protein, decapeptide SVRDELRWVF | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-04 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO5
| HtrA-type protease AlgW with decapeptide | Descriptor: | AlgW protein, IMIDAZOLE, decapeptide SVRDELRWVF | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.345 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO3
| HtrA-type protease AlgWS227A with tripeptide | Descriptor: | AlgW protein, TRP-VAL-PHE | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO2
| HtrA-type protease AlgW with tripeptide | Descriptor: | AlgW protein, IMIDAZOLE, TRP-VAL-PHE | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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1JTF
| Crystal Structure Analysis of VP39-F180W mutant and m7GpppG complex | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, S-ADENOSYL-L-HOMOCYSTEINE, VP39 | Authors: | Hu, G, Oguro, A, Gershon, P.D, Quiocho, F.A. | Deposit date: | 2001-08-20 | Release date: | 2002-07-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The "cap-binding slot" of an mRNA cap-binding protein: quantitative effects of aromatic side chain choice in the double-stacking sandwich with cap. Biochemistry, 41, 2002
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1JSZ
| Crystal Structure Analysis of N7,9-dimethylguanine-VP39 complex | Descriptor: | 7,9-DIMETHYLGUANINE, S-ADENOSYL-L-HOMOCYSTEINE, VP39 | Authors: | Hu, G, Oguro, A, Gershon, P.D, Quiocho, F.A. | Deposit date: | 2001-08-19 | Release date: | 2002-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | The "cap-binding slot" of an mRNA cap-binding protein: quantitative effects of aromatic side chain choice in the double-stacking sandwich with cap. Biochemistry, 41, 2002
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