7YC9
 
 | | Co-crystal structure of BTK kinase domain with inhibitor | | Descriptor: | (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK | | Authors: | Zhou, X. | | Deposit date: | 2022-07-01 | | Release date: | 2023-05-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
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3OLG
 | | Structures of human pancreatic alpha-amylase in complex with acarviostatin III03 | | Descriptor: | (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Qin, X, Ren, L. | | Deposit date: | 2010-08-26 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
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3OLE
 | | Structures of human pancreatic alpha-amylase in complex with acarviostatin II03 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | | Authors: | Qin, X, Ren, L. | | Deposit date: | 2010-08-26 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
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3OLI
 | | Structures of human pancreatic alpha-amylase in complex with acarviostatin IV03 | | Descriptor: | (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | Authors: | Qin, X, Ren, L. | | Deposit date: | 2010-08-26 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes.
J.Struct.Biol., 174, 2011
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8GXP
 | | Complex structure of RORgama with betulinic acid | | Descriptor: | Betulinic acid, Nuclear receptor ROR-gamma | | Authors: | Zhang, X.L, Xu, C, Bai, F. | | Deposit date: | 2022-09-20 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery, structural optimization, and anti-tumor bioactivity evaluations of betulinic acid derivatives as a new type of ROR gamma antagonists.
Eur.J.Med.Chem., 257, 2023
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3S2A
 | | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | | Descriptor: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.
J.Med.Chem., 54, 2011
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7FEM
 | | SARS-CoV-2 B.1.1.7 S-ACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Wen, Z.L, Zhu, Y, Sun, F. | | Deposit date: | 2021-07-21 | | Release date: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
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7FET
 | | SARS-CoV-2 B.1.1.7 Spike Glycoprotein trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wen, Z.L, Zhu, Y, Sun, F. | | Deposit date: | 2021-07-21 | | Release date: | 2021-12-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
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3MOW
 | | Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1 | | Descriptor: | (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10S,12S,15E,17E)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxooctade ca-15,17-dien-1-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Zhang, Z.-Y, Liu, S, Yu, Z, Yu, X. | | Deposit date: | 2010-04-23 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of SHP2 in complex with a tautomycetin analog TTN D-1
To be Published
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5J5S
 | | Src kinase in complex with a sulfonamide inhibitor | | Descriptor: | N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M. | | Deposit date: | 2016-04-03 | | Release date: | 2016-06-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.153 Å) | | Cite: | Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors
To Be Published
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7VGG
 | | Cryo-EM structure of Ultraviolet-B activated UVR8 in complex with COP1 | | Descriptor: | E3 ubiquitin-protein ligase COP1, Ultraviolet-B receptor UVR8 | | Authors: | Wang, Y.D, Wang, L.X, Guan, Z.Y, Yin, P. | | Deposit date: | 2021-09-16 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insight into UV-B-activated UVR8 bound to COP1.
Sci Adv, 8, 2022
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2JBH
 | | Human phosphoribosyl transferase domain containing 1 | | Descriptor: | CALCIUM ION, GUANOSINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ... | | Authors: | Welin, M, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Eklund, H, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | | Deposit date: | 2006-12-07 | | Release date: | 2006-12-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Studies of the Human Phosphoribosyltransferase Domain Containing Protein 1.
FEBS J., 277, 2010
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5ZZ3
 | | Crystal structure of intracellular B30.2 domain of BTN3A3 | | Descriptor: | Butyrophilin, subfamily 3, member A3 isoform b variant | | Authors: | Yang, Y.Y, Li, X, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2018-05-30 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
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6IH4
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6IH2
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4GE2
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6IH3
 | | Crystal structure of Phosphite Dehydrogenase from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide | | Descriptor: | Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Song, X, Feng, Y, Zhao, Z, Liu, Y. | | Deposit date: | 2018-09-28 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.942 Å) | | Cite: | Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
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6IH6
 | | Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide | | Descriptor: | Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Song, X, Feng, Y, Liu, Y, Zhao, Z. | | Deposit date: | 2018-09-28 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
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6IH8
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5ZXK
 | | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1 | | Authors: | Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H. | | Deposit date: | 2018-05-21 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
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6J2E
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP1 | | Descriptor: | Beta-2-microglobulin, EBOV-NP1, MHC class I antigen | | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | Deposit date: | 2019-01-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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6J2G
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Ebola virus-derived peptide EBOV-NP2 | | Descriptor: | Beta-2-microglobulin, EBOV-NP2, Ptal-N*01:01 | | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | Deposit date: | 2019-01-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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6J2H
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 mutant (Met52 Asp53 Leu54 deleted) in complex with Hendra virus-derived peptide HeV1 | | Descriptor: | Beta-2-microglobulin, HeV1, Ptal-N*01:01 (Met52 Asp53 Leu54 deleted) | | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | Deposit date: | 2019-01-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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6J2D
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV1 | | Descriptor: | HeV1, Ptal-N*01:01, beta-2 microglobulin | | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | Deposit date: | 2019-01-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.313 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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6J2F
 | | Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 in complex with Hendra virus-derived peptide HeV2 | | Descriptor: | HeV2, Ptal-N*01:01, beta-2 microglobulin | | Authors: | Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J. | | Deposit date: | 2019-01-01 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
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