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5IES
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BU of 5ies by Molmil
Crystal structure of VRC01c-HuGL2 Fab from an HIV-1 naive donor in complex with with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.16 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8, ...
Authors:Sarkar, A, Wilson, I.A.
Deposit date:2016-02-25
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
Deposit date:2020-07-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
6ASI
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BU of 6asi by Molmil
E. coli phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-24
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.789 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6AT2
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BU of 6at2 by Molmil
E. coli phosphoenolpyruvate carboxykinase G209N mutant bound to thiosulfate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-27
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6ASN
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BU of 6asn by Molmil
E. coli phosphoenolpyruvate carboxykinase K212I F216V mutant bound to methanesulfonate
Descriptor: Phosphoenolpyruvate carboxykinase (ATP), SULFATE ION, methanesulfonic acid
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-25
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6ASM
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BU of 6asm by Molmil
E. coli phosphoenolpyruvate carboxykinase G209S K212C mutant bound to thiosulfate
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-25
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6AT4
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BU of 6at4 by Molmil
E. coli phosphoenolpyruvate carboxykinase bound to thiosulfate
Descriptor: Phosphoenolpyruvate carboxykinase (ATP), THIOSULFATE
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-27
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
7CKM
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BU of 7ckm by Molmil
Structure of Machupo virus polymerase bound to Z matrix protein (monomeric complex)
Descriptor: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
Authors:Xu, X, Peng, R, Peng, Q, Shi, Y.
Deposit date:2020-07-17
Release date:2021-05-05
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals
Nat Microbiol, 6, 2021
7CKL
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BU of 7ckl by Molmil
Structure of Lassa virus polymerase bound to Z matrix protein
Descriptor: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
Authors:Xu, X, Peng, R, Peng, Q, Shi, Y.
Deposit date:2020-07-17
Release date:2021-05-05
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals
Nat Microbiol, 6, 2021
6AT3
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BU of 6at3 by Molmil
E. coli phosphoenolpyruvate carboxykinase Y207F mutant bound to thiosulfate and oxaloacetate
Descriptor: OXALOACETATE ION, Phosphoenolpyruvate carboxykinase (ATP), THIOSULFATE
Authors:Tang, H.Y.H, Shin, D.S, Tainer, J.A.
Deposit date:2017-08-27
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.455 Å)
Cite:Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6BCM
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BU of 6bcm by Molmil
Structure of a Self-inhibited N475A variant of the Venezuelan Equine Encephalitis Virus (VEEV) nsP2 cysteine protease
Descriptor: GLYCEROL, Protease nsP2, SODIUM ION
Authors:Compton, J.R, Legler, P.M.
Deposit date:2017-10-20
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutation of Asn-475 in the Venezuelan Equine Encephalitis Virus nsP2 Cysteine Protease Leads to a Self-Inhibited State.
Biochemistry, 56, 2017
7ELC
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BU of 7elc by Molmil
Structure of monomeric complex of MACV L bound to Z and 3'-vRNA
Descriptor: 3'-vRNA promoter, MANGANESE (II) ION, RING finger protein Z, ...
Authors:Xu, X, Peng, R, Peng, Q, Shi, Y.
Deposit date:2021-04-09
Release date:2021-05-05
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
7ELA
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BU of 7ela by Molmil
Structure of Lassa virus polymerase in complex with 3'-vRNA and Z mutant (F36A)
Descriptor: 3-'vRNA promoter, MANGANESE (II) ION, RING finger protein Z, ...
Authors:Xu, X, Peng, R, Peng, Q, Shi, Y.
Deposit date:2021-04-09
Release date:2021-05-05
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
7EL9
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BU of 7el9 by Molmil
Structure of Machupo virus L polymerase in complex with Z protein and 3'-vRNA (dimeric complex)
Descriptor: MANGANESE (II) ION, Machupo virus 3'-vRNA promoter, RING finger protein Z, ...
Authors:Peng, R, Xu, X, Peng, Q, Shi, Y.
Deposit date:2021-04-09
Release date:2021-05-05
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
7ELB
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BU of 7elb by Molmil
Structure of Machupo virus L polymerase in complex with Z protein (dimeric form)
Descriptor: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
Authors:Peng, R, Xu, X, Peng, Q, Shi, Y.
Deposit date:2021-04-09
Release date:2021-05-05
Last modified:2021-07-14
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
Descriptor: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6D2P
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BU of 6d2p by Molmil
Crystal structure of IOMA-class CLK31 Fab from an HIV-1 naive donor in complex with a germline-targeting gp120 engineered outer domain eOD-GT8 at 2.6 A
Descriptor: GLYCEROL, Germline-targeting HIV-1 gp120 engineered outer domain eOD-GT8, IOMAclass naive CLK31 Fab heavy chain, ...
Authors:Sarkar, A, Wilson, I.A.
Deposit date:2018-04-13
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The human naive B cell repertoire contains distinct subclasses for a germline-targeting HIV-1 vaccine immunogen.
Sci Transl Med, 10, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
Descriptor: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6DFH
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BU of 6dfh by Molmil
BG505 MD64 N332-GT2 SOSIP trimer in complex with germline-reverted BG18 fragment antigen binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Ozorowski, G, Steichen, J.M, Schief, W.R, Ward, A.B.
Deposit date:2018-05-14
Release date:2019-11-06
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
6DFG
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BU of 6dfg by Molmil
BG505 MD39 SOSIP trimer in complex with mature BG18 fragment antigen binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Ozorowski, G, Steichen, J.M, Schief, W.R, Ward, A.B.
Deposit date:2018-05-14
Release date:2019-11-06
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.42 Å)
Cite:A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
7EO7
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BU of 7eo7 by Molmil
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
Descriptor: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
Authors:Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
Deposit date:2021-04-21
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24916625 Å)
Cite:Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7Y7J
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BU of 7y7j by Molmil
SARS-CoV-2 S trimer in complex with 1F Fab
Descriptor: 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, S, Liu, F, Yang, X, Zhong, G.
Deposit date:2022-06-22
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
7Y7K
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BU of 7y7k by Molmil
SARS-CoV-2 RBD in complex with 1F Fab
Descriptor: 1F VH, 1F VL, Spike protein S1
Authors:Zhao, S, Liu, F, Yang, X, Zhong, G.
Deposit date:2022-06-22
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
8W5A
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BU of 8w5a by Molmil
Crystal structure of the RING domain of human XIAP
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Zhang, Q, Sun, H, Hu, X, Wang, M.
Deposit date:2023-08-25
Release date:2023-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the RING domain of human XIAP
To Be Published
8W59
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BU of 8w59 by Molmil
Crystal structure of the RING domain of human XIAP treated with arsenic trioxide
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Zhang, Q, Sun, H, Hu, X, Wang, M.
Deposit date:2023-08-25
Release date:2023-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.339 Å)
Cite:Crystal structure of the RING domain of human XIAP
To Be Published

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數據於2024-05-29公開中

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