6UYA
 
 | | Crystal structure of Compound 19 bound to IRAK4 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | | Authors: | Kiefer, J.R, Bryan, M.C, Lupardus, P.J, Zarrin, A.A, Rajapaksa, N.S, Gobbi, A, Drobnick, J, Kolesnikov, A, Liang, J, Do, S. | | Deposit date: | 2019-11-12 | | Release date: | 2019-11-20 | | Last modified: | 2020-04-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of Potent Benzolactam IRAK4 Inhibitors with Robust in Vivo Activity.
Acs Med.Chem.Lett., 11, 2020
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6LQC
 | | Crystal structure of Cyclohexylamine Oxidase from Erythrobacteraceae bacterium | | Descriptor: | Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Huang, Z.D. | | Deposit date: | 2020-01-13 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight.
J.Org.Chem., 85, 2020
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6LQL
 | | Complex structure of CHAO with product from Erythrobacteraceae bacterium | | Descriptor: | 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Huang, Z.D. | | Deposit date: | 2020-01-14 | | Release date: | 2020-06-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Asymmetric Synthesis of a Key Dextromethorphan Intermediate and Its Analogues Enabled by a New Cyclohexylamine Oxidase: Enzyme Discovery, Reaction Development, and Mechanistic Insight.
J.Org.Chem., 85, 2020
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7X5V
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7VFW
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to CaV2.2-blocker1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole, CALCIUM ION, ... | | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | Deposit date: | 2021-09-13 | | Release date: | 2021-11-03 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VFU
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to ziconotide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | Deposit date: | 2021-09-13 | | Release date: | 2021-11-03 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VFV
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to PD173212 | | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | Deposit date: | 2021-09-13 | | Release date: | 2021-11-03 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VFS
 | | Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Dong, Y, Gao, Y, Wang, Y, Zhao, Y. | | Deposit date: | 2021-09-13 | | Release date: | 2021-11-03 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
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7VX1
 | | SARS-CoV-2 Beta variant spike protein in open state | | Descriptor: | Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-11-24 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXA
 | | SARS-CoV-2 Kappa variant spike protein in complex with ACE2, state C2a | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-11-24 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VX9
 | | SARS-CoV-2 Kappa variant spike protein in complex wth ACE2, state C1 | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-11-24 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXF
 | | SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C2B state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXD
 | | SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C1 state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXE
 | | SARS-CoV-2 Kappa variant spike protein in open state | | Descriptor: | Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VX5
 | | ACE2-RBD in SARS-CoV-2 Kappa variant S-ACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VX4
 | | ACE2-RBD in SARS-CoV-2 Beta variant S-ACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXK
 | | SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C2A state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXC
 | | SARS-CoV-2 Kappa variant spike protein in C3 state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXB
 | | SARS-CoV-2 Kappa variant spike protein in C2b state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXI
 | | SARS-CoV-2 Kappa variant spike protein in transition state | | Descriptor: | Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7W9F
 | | SARS-CoV-2 Delta S-RBD-8D3 | | Descriptor: | Spike protein S1, The heavy chain of 8D3, The light chain of 8D3 | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2021-12-09 | | Release date: | 2022-01-12 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
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7W94
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7W9C
 | | SARS-CoV-2 Delta S-ACE2-C3 | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2021-12-09 | | Release date: | 2022-01-12 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
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7VXM
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7W92
 | | Open state of SARS-CoV-2 Delta variant spike protein | | Descriptor: | Spike glycoprotein | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2021-12-09 | | Release date: | 2022-01-12 | | Last modified: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for SARS-CoV-2 Delta variant recognition of ACE2 receptor and broadly neutralizing antibodies.
Nat Commun, 13, 2022
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