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7UPX
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BU of 7upx by Molmil
Three RBD-down state of SARS-CoV-2 D614G spike in complex with the SP1-77 neutralizing antibody Fab fragment (local refinement of the RBD and Fab variable domains)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SP1-77 Fab heavy chain, SP1-77 Fab light chain, ...
Authors:Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F.
Deposit date:2022-04-18
Release date:2022-08-10
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion.
Sci Immunol, 7, 2022
7UPW
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BU of 7upw by Molmil
Three RBD-down state of SARS-CoV-2 D614G spike in complex with the SP1-77 neutralizing antibody Fab fragment
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F.
Deposit date:2022-04-18
Release date:2022-08-10
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion.
Sci Immunol, 7, 2022
5X5M
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BU of 5x5m by Molmil
Crystal structure of a hydrolase encoded by lin2189 from Listeria innocua
Descriptor: (+)-Yatakemycin, DIMETHYL SULFOXIDE, Lin2189 protein
Authors:Zhang, J.
Deposit date:2017-02-16
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.211 Å)
Cite:GyrI-like proteins catalyze cyclopropanoid hydrolysis to confer cellular protection
Nat Commun, 8, 2017
8FHN
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BU of 8fhn by Molmil
Cryo-EM structure of human NCC (class 2)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
Authors:Zhang, J, Fan, M, Feng, L.
Deposit date:2022-12-14
Release date:2023-02-15
Last modified:2023-03-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHO
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BU of 8fho by Molmil
Cryo-EM structure of human NCC (class 1)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Polythiazide, SODIUM ION, ...
Authors:Zhang, J, Fan, M, Feng, L.
Deposit date:2022-12-14
Release date:2023-02-15
Last modified:2023-03-08
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHR
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BU of 8fhr by Molmil
Cryo-EM structure of human NCC (class 3-3)
Descriptor: Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
Authors:Zhang, J, Fan, M, Feng, L.
Deposit date:2022-12-14
Release date:2023-02-15
Last modified:2023-03-08
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHP
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BU of 8fhp by Molmil
Cryo-EM structure of human NCC (class 3-1)
Descriptor: Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
Authors:Zhang, J, Fan, M, Feng, L.
Deposit date:2022-12-14
Release date:2023-02-15
Last modified:2023-03-08
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHT
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BU of 8fht by Molmil
Cryo-EM structure of human NCC
Descriptor: CHLORIDE ION, SODIUM ION, Solute carrier family 12 member 3
Authors:Zhang, J, Fan, M, Feng, L.
Deposit date:2022-12-15
Release date:2023-02-15
Last modified:2023-03-08
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
8FHQ
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BU of 8fhq by Molmil
Cryo-EM structure of human NCC (class 3-2)
Descriptor: Polythiazide, SODIUM ION, Solute carrier family 12 member 2,Solute carrier family 12 member 3 chimera
Authors:Zhang, J, Fan, M, Feng, L.
Deposit date:2022-12-14
Release date:2023-02-15
Last modified:2023-03-08
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structure and thiazide inhibition mechanism of the human Na-Cl cotransporter.
Nature, 614, 2023
6XRA
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BU of 6xra by Molmil
Distinct conformational states of SARS-CoV-2 spike protein
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:Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Rits-Volloch, S, Chen, B.
Deposit date:2020-07-11
Release date:2020-07-22
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Distinct conformational states of SARS-CoV-2 spike protein.
Science, 369, 2020
8HTX
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BU of 8htx by Molmil
Crystal structure of BANP in complex with methylated DNA
Descriptor: DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP
Authors:Zhang, J, Min, J, Liu, K.
Deposit date:2022-12-21
Release date:2023-05-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into DNA recognition by the BEN domain of the transcription factor BANP.
J.Biol.Chem., 299, 2023
6XR8
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BU of 6xr8 by Molmil
Distinct conformational states of SARS-CoV-2 spike protein
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Volloch, S.R, Chen, B.
Deposit date:2020-07-11
Release date:2020-07-22
Last modified:2020-11-25
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Distinct conformational states of SARS-CoV-2 spike protein.
Science, 369, 2020
7Y4F
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BU of 7y4f by Molmil
bacterial DPP4
Descriptor: Dipeptidyl peptidase IV
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-06-14
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
7Y4G
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BU of 7y4g by Molmil
sit-bound btDPP4
Descriptor: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-06-14
Release date:2023-06-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
8HDK
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BU of 8hdk by Molmil
Structure of the Rat GluN1-GluN2C NMDA receptor in complex with glycine and glutamate (minor class in symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S.
Deposit date:2022-11-04
Release date:2023-03-29
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
8HG6
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BU of 8hg6 by Molmil
Cryo-EM structure of the prasinophyte-specific light-harvesting complex (Lhcp)from Ostreococcus tauri
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one, ...
Authors:Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
Deposit date:2022-11-13
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
8HG5
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BU of 8hg5 by Molmil
Cryo-EM structure of the prasinophyte-specific light-harvesting complex (Lhcp)from Ostreococcus tauri
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one, ...
Authors:Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
Deposit date:2022-11-13
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
8HG3
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BU of 8hg3 by Molmil
Cryo-EM structure of the Lhcp complex from Ostreococcus tauri
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one, ...
Authors:Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
Deposit date:2022-11-13
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
5JRE
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BU of 5jre by Molmil
Crystal structure of NeC3PO in complex with ssDNA.
Descriptor: 9-METHYL-9H-PURIN-6-AMINE, ADENINE, NEQ131, ...
Authors:Gan, J, Zhang, J.
Deposit date:2016-05-06
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
3BYZ
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BU of 3byz by Molmil
2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors
Descriptor: (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2008-01-16
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice.
J.Med.Chem., 51, 2008
7URI
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BU of 7uri by Molmil
allo-tRNAUTu1A in the A site of the E. coli ribosome
Descriptor: Allo-tRNAUTu1A
Authors:Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J.
Deposit date:2022-04-22
Release date:2022-08-10
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
7UR5
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BU of 7ur5 by Molmil
allo-tRNAUTu1 in the A, P, and E sites of the E. coli ribosome
Descriptor: allo-tRNAUTu1
Authors:Zhang, J, Krahn, N, Prabhakar, A, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J.
Deposit date:2022-04-21
Release date:2022-08-10
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
7URM
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BU of 7urm by Molmil
allo-tRNAUTu1A in the P site of the E. coli ribosome
Descriptor: allo-tRNAUTU1A
Authors:Zhang, J, Prabhakar, A, Krahn, N, Vargas-Rodriguez, O, Krupkin, M, Fu, Z, Acosta-Reyes, F.J, Ge, X, Choi, J, Crnkovic, A, Ehrenberg, M, Viani Puglisi, E, Soll, D, Puglisi, J.
Deposit date:2022-04-22
Release date:2022-08-10
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Uncovering translation roadblocks during the development of a synthetic tRNA.
Nucleic Acids Res., 50, 2022
8CEV
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BU of 8cev by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO1119
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase
Authors:Klima, M, Silhan, J, Boura, E.
Deposit date:2023-02-02
Release date:2023-04-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023
8CER
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BU of 8cer by Molmil
Crystal structure of monkeypox virus methyltransferase VP39 in complex with inhibitor TO494
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase
Authors:Klima, M, Silhan, J, Boura, E.
Deposit date:2023-02-02
Release date:2023-04-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase.
Nat Commun, 14, 2023

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