6Z2U
 
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9JE1
 | | Human URAT1 bound to dotinurad | | Descriptor: | Solute carrier family 22 member 12, dotinurad | | Authors: | Wu, C, Zhang, C, Jin, S, Wang, J.J, Dai, A, Jiang, Y, Yang, D, Xu, H.E. | | Deposit date: | 2024-09-01 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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9JE0
 | | Human URAT1 bound to benzbromarone | | Descriptor: | Solute carrier family 22 member 12, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone | | Authors: | Wu, C, Zhang, C, Jin, S, Wang, J.J, Dai, A, Jiang, Y, Yang, D, Xu, H.E. | | Deposit date: | 2024-09-01 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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9JDV
 | | Human URAT1 bound with Uric acid | | Descriptor: | Solute carrier family 22 member 12, URIC ACID | | Authors: | Wu, C, Zhang, C, Jin, S, Wang, J.J, Jiang, Y, Yang, D, Xu, H.E. | | Deposit date: | 2024-09-01 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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9JDY
 | | Human URAT1 bound with verinurad | | Descriptor: | Solute carrier family 22 member 12, verinurad | | Authors: | Wu, C, Zhang, C, Jin, S, Wang, J.J, Dai, A, Jiang, Y, Yang, D, Xu, H.E. | | Deposit date: | 2024-09-01 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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6LU7
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | Deposit date: | 2020-01-26 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
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6VNS
 | | Crystal structure of TYK2 kinase with compound 13 | | Descriptor: | (1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Vajdos, F.F. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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6VNY
 | | Crystal structure of TYK2 kinase with compound 10 | | Descriptor: | N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Vajdos, F.F. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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6W8L
 | | Crystal structure of JAK1 kinase with compound 10 | | Descriptor: | N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Vajdos, F.F. | | Deposit date: | 2020-03-20 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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6VNV
 | | Crystal structure of TYK2 kinase with compound 14 | | Descriptor: | (1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Vajdos, F.F. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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6VNX
 | | Crystal structure of TYK2 kinase with compound 19 | | Descriptor: | (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Vajdos, F.F. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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8YAG
 | | Cryo-electron microscopic structure of an amide hydrolase from Pseudoxanthomonas wuyuanensis | | Descriptor: | Imidazolonepropionase, ZINC ION | | Authors: | Dai, L.H, Xu, Y.H, Hu, Y.M, Niu, D, Yang, X.C, Shen, P.P, Li, X, Xie, Z.Z, Li, H, Guo, R.-T, Chen, C.-C. | | Deposit date: | 2024-02-09 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.33 Å) | | Cite: | Functional characterization and structural basis of an efficient ochratoxin A-degrading amidohydrolase.
Int.J.Biol.Macromol., 278, 2024
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9JDZ
 | | Human URAT1 bound to lesinurad | | Descriptor: | Solute carrier family 22 member 12, lesinurad | | Authors: | Wu, C, Xu, H.E. | | Deposit date: | 2024-09-01 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Molecular mechanisms of uric acid transport by the native human URAT1 and its inhibition by anti-gout drugs
Biorxiv, 2024
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7BQY
 | | THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | | Deposit date: | 2020-03-26 | | Release date: | 2020-04-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
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6U3U
 | | Crystal Structure of Shiga Toxin 2K | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Shiga toxin 2K subunit A, ... | | Authors: | Zhang, Y.Z, He, X.H. | | Deposit date: | 2019-08-22 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.287 Å) | | Cite: | Structural and Functional Characterization of Stx2k, a New Subtype of Shiga Toxin 2.
Microorganisms, 8, 2019
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7BUY
 | | The crystal structure of COVID-19 main protease in complex with carmofur | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid | | Authors: | Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z. | | Deposit date: | 2020-04-08 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur.
Nat.Struct.Mol.Biol., 27, 2020
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6U4Y
 | | Crystal Structure of an EZH2-EED Complex in an Oligomeric State | | Descriptor: | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Jiao, L, Liu, X. | | Deposit date: | 2019-08-26 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A partially disordered region connects gene repression and activation functions of EZH2.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6OZB
 | | Crystal structure of the phycoerythrobilin-bound GAF domain from a cyanobacterial phytochrome | | Descriptor: | PHYCOERYTHROBILIN, Two-component sensor histidine kinase | | Authors: | Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y. | | Deposit date: | 2019-05-15 | | Release date: | 2020-05-20 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6OZA
 | | Crystal structure of the phycocyanobilin-bound GAF domain from a cyanobacterial phytochrome | | Descriptor: | PHYCOCYANOBILIN, Two-component sensor histidine kinase | | Authors: | Heewhan, S, Xiaoli, Z, Yafang, S, Zhong, R, Wolfgang, G, Kai, H.Z, Xiaojing, Y. | | Deposit date: | 2019-05-15 | | Release date: | 2020-05-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | The interplay between chromophore and protein determines the extended excited state dynamics in a single-domain phytochrome.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6M03
 | | The crystal structure of COVID-19 main protease in apo form | | Descriptor: | 3C-like proteinase | | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z. | | Deposit date: | 2020-02-19 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6OAQ
 | | Crystal structure of a dual sensor histidine kinase in BeF3- bound state | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Dual sensor histidine kinase, MAGNESIUM ION, ... | | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | | Deposit date: | 2019-03-18 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OB8
 | | Crystal structure of a dual sensor histidine kinase in green light illuminated state | | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | | Deposit date: | 2019-03-19 | | Release date: | 2019-09-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8Y7Y
 | | Local structure of HCoV-HKU1A spike in complex with TMPRSS2 and glycan | | 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: | Wang, H.F, Zhang, X, Lu, Y, Liu, X, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-05 | | Release date: | 2024-07-17 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 187, 2024
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8D4Z
 | | Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763 | | Descriptor: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Bell, J.A. | | Deposit date: | 2022-06-03 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action
To Be Published
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8Y8I
 | | Structure of HCoV-HKU1C spike in the glycan-activated-3up conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Sun, L, Yang, H.T. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-17 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry.
Cell, 187, 2024
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