6ANF
 
 | | Design of a short thermo-stable alpha-helix embedded in a macrocycle | | Descriptor: | 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide | | Authors: | Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F. | | Deposit date: | 2017-08-13 | | Release date: | 2018-02-21 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
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6K83
 | | Structure of RGLG1 mutant-D207G | | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION | | Authors: | Wang, Q, Wu, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | RGLG1 mutant-D207G
To Be Published
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6K86
 | | The closed state of RGLG1 mutant-E378A | | Descriptor: | E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION, SODIUM ION | | Authors: | Wang, Q, Wu, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.593 Å) | | Cite: | The closed state of RGLG1 mutant-E378A
To Be Published
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6K8B
 | | The open state of RGLG1 VWA domain | | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase RGLG1, MAGNESIUM ION | | Authors: | Wang, Q, Wu, Y. | | Deposit date: | 2019-06-11 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | The open state of RGLG1 VWA domain
To Be Published
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7VNB
 | | Crystal structure of the SARS-CoV-2 RBD in complex with a human single domain antibody n3113 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, n3113 | | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | | Deposit date: | 2021-10-10 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants.
Signal Transduct Target Ther, 6, 2021
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7VND
 | | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113 (UUD-state, state 2) | | 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: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | | Deposit date: | 2021-10-10 | | Release date: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants.
Signal Transduct Target Ther, 6, 2021
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7VNE
 | | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113.1 (UUU-state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | | Deposit date: | 2021-10-10 | | Release date: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants.
Signal Transduct Target Ther, 6, 2021
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7VNC
 | | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113 (UDD-state, state 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | | Deposit date: | 2021-10-10 | | Release date: | 2021-11-24 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants.
Signal Transduct Target Ther, 6, 2021
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6MHN
 | | Photoactive Yellow Protein with covalently bound 3-chloro-4-hydroxycinnamic acid chromophore | | Descriptor: | (2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid, Photoactive yellow protein | | Authors: | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | | Deposit date: | 2018-09-18 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation.
J.Phys.Chem.B, 123, 2019
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6MHI
 | | Photoactive Yellow Protein with covalently bound 3,5-dichloro-4-hydroxycinnamic acid chromophore | | Descriptor: | (2E)-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enoic acid, Photoactive yellow protein | | Authors: | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | | Deposit date: | 2018-09-18 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation.
J.Phys.Chem.B, 123, 2019
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6MKT
 | | Photoactive Yellow Protein with 3-chlorotyrosine substituted at position 42 | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | | Deposit date: | 2018-09-26 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation.
J.Phys.Chem.B, 123, 2019
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6MMD
 | | Photoactive Yellow Protein with 3,5-dichlorotyrosine substituted at position 42 | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Thomson, B.D, Both, J, Wu, Y, Parrish, R.M, Martinez, T, Boxer, S.G. | | Deposit date: | 2018-09-30 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.228 Å) | | Cite: | Perturbation of Short Hydrogen Bonds in Photoactive Yellow Protein via Noncanonical Amino Acid Incorporation.
J.Phys.Chem.B, 123, 2019
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6O3P
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6OIX
 | | Structure of Escherichia coli dGTPase bound to GTP | | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION | | Authors: | Barnes, C.O, Wu, Y, Calero, G. | | Deposit date: | 2019-04-09 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The crystal structure of dGTPase reveals the molecular basis of dGTP selectivity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OIV
 | | XFEL structure of Escherichia coli dGTPase | | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, MANGANESE (II) ION, SULFATE ION | | Authors: | Barnes, C.O, Wu, Y, Calero, G. | | Deposit date: | 2019-04-09 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | The crystal structure of dGTPase reveals the molecular basis of dGTP selectivity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OIY
 | | Structure of Escherichia coli bound to dGTP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxyguanosinetriphosphate triphosphohydrolase, MANGANESE (II) ION | | Authors: | Barnes, C.O, Wu, Y, Calero, G. | | Deposit date: | 2019-04-09 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | The crystal structure of dGTPase reveals the molecular basis of dGTP selectivity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OIW
 | | Structure of Escherichia coli dGTPase bound to dGTP-1-thiol | | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxyguanosinetriphosphate triphosphohydrolase, MAGNESIUM ION, ... | | Authors: | Barnes, C.O, Wu, Y, Calero, G. | | Deposit date: | 2019-04-09 | | Release date: | 2019-05-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | The crystal structure of dGTPase reveals the molecular basis of dGTP selectivity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OI7
 | | Se-Met structure of apo- Escherichia coli dGTPase | | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, MANGANESE (II) ION, SULFATE ION | | Authors: | Calero, G, Barnes, C.O, Wu, Y. | | Deposit date: | 2019-04-08 | | Release date: | 2019-05-29 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The crystal structure of dGTPase reveals the molecular basis of dGTP selectivity.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6ATG
 | | Insights to complement factor H recruitment by the borrelial CspZ protein as revealed by structural analysis | | Descriptor: | Complement regulator-acquiring surface protein 2 (CRASP-2), HCG40889, isoform CRA_b, ... | | Authors: | Liu, A, Yan, H, Wu, Y, Li, Y, Liu, J. | | Deposit date: | 2017-08-29 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights to complement factor H recruitment by the borrelial CspZ protein as revealed by structural analysis
To Be Published
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6BQG
 | | Crystal structure of 5-HT2C in complex with ergotamine | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, Ergotamine | | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | | Deposit date: | 2017-11-27 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
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6BQH
 | | Crystal structure of 5-HT2C in complex with ritanserin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562, 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ... | | Authors: | Peng, Y, McCorvy, J.D, Harpsoe, K, Lansu, K, Yuan, S, Popov, P, Qu, L, Pu, M, Che, T, Nikolajse, L.F, Huang, X.P, Wu, Y, Shen, L, Bjorn-Yoshimoto, W.E, Ding, K, Wacker, D, Han, G.W, Cheng, J, Katritch, V, Jensen, A.A, Hanson, M.A, Zhao, S, Gloriam, D.E, Roth, B.L, Stevens, R.C, Liu, Z. | | Deposit date: | 2017-11-27 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology.
Cell, 172, 2018
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5XA6
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7VTW
 | | Crystal structure of PDE8A catalytic domain in complex with 17 | | Descriptor: | 2-chloro-9-(3-(2,2-difluoroethoxy)-5-isopropoxybenzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | | Authors: | Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. | | Deposit date: | 2021-10-31 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.79971337 Å) | | Cite: | Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia
To Be Published
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7VSL
 | | Crystal structure of PDE8A catalytic domain in complex with 10 | | Descriptor: | 2-chloro-9-(3-(2,2-difluoroethoxy)benzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | | Authors: | Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. | | Deposit date: | 2021-10-26 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.500069 Å) | | Cite: | Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia
To Be Published
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7VTV
 | | Crystal structure of PDE8A catalytic domain in complex with 15 | | Descriptor: | 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... | | Authors: | Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B. | | Deposit date: | 2021-10-31 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia
To Be Published
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