7WEC
 
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7WE7
 | | SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv282 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 282, ... | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2021-12-23 | | Release date: | 2022-05-04 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
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7WEE
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7WEB
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7WLK
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WLL
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with pimozide(PMZ) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WEF
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7WLI
 | | CryoEM structure of human low-voltage activated T-type calcium channel CaV3.3 (apo) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WLJ
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with mibefradil (MIB) | | Descriptor: | (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WE9
 | | SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv289 | | 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, X, Wang, L. | | Deposit date: | 2021-12-23 | | Release date: | 2022-05-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022
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7WG6
 | | Neutral Omicron Spike 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: | Cui, Z, Wang, X. | | Deposit date: | 2021-12-28 | | Release date: | 2022-05-18 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural and functional characterizations of infectivity and immune evasion of SARS-CoV-2 Omicron.
Cell, 185, 2022
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6X3Y
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-21 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6X4N
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 24) | | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6WE5
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4OK3
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6WZO
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7AEP
 | | Solution structure of U1-A RRM2 (190-282) | | Descriptor: | U1 small nuclear ribonucleoprotein A | | Authors: | Campagne, S, Allain, F.H. | | Deposit date: | 2020-09-18 | | Release date: | 2021-02-03 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | An in vitro reconstituted U1 snRNP allows the study of the disordered regions of the particle and the interactions with proteins and ligands.
Nucleic Acids Res., 49, 2021
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7BPR
 | | Crystal structure of human TEX101 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PLATINUM (II) ION, Testis-expressed protein 101 | | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | | Deposit date: | 2020-03-23 | | Release date: | 2020-07-15 | | Last modified: | 2020-12-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
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6X3R
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-21 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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4OK6
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7WNK
 | | Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase K38R and A121E | | Descriptor: | AZIDE ION, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Retnoningrum, D.S, Yoshida, H, Artarini, A.A, Ismaya, W.T. | | Deposit date: | 2022-01-18 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Introducing Intermolecular Interaction to Strengthen the Stability of MnSOD Dimer.
Appl.Biochem.Biotechnol., 195, 2023
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6X4P
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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7WNL
 | | Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase K38R and A121Y | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, BROMIDE ION, ... | | Authors: | Retnoningrum, D.S, Yoshida, H, Artarini, A.A, Ismaya, W.T. | | Deposit date: | 2022-01-18 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Introducing Intermolecular Interaction to Strengthen the Stability of MnSOD Dimer.
Appl.Biochem.Biotechnol., 195, 2023
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7BPS
 | | Crystal structure of mouse TEX101 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Testis-expressed protein 101, ... | | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | | Deposit date: | 2020-03-23 | | Release date: | 2020-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains.
Febs Lett., 594, 2020
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4OCZ
 | | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea | | Descriptor: | 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | | Authors: | Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morriseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. | | Deposit date: | 2014-01-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
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