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5C8F
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BU of 5c8f by Molmil
Crystal structure of light-exposed full-length Thermus thermophilus CarH bound to cobalamin
Descriptor: CHLORIDE ION, COBALAMIN, GLYCEROL, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
6VH0
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BU of 6vh0 by Molmil
1.95 A resolution structure of MERS 3CL protease in complex with inhibitor 6g
Descriptor: N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein
Authors:Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
Deposit date:2020-01-09
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
6VH1
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BU of 6vh1 by Molmil
2.30 A resolution structure of MERS 3CL protease in complex with inhibitor 6h
Descriptor: N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, Orf1a protein
Authors:Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
Deposit date:2020-01-09
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
5C8A
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BU of 5c8a by Molmil
Crystal structure of a truncated form of Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, GLYCEROL, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
6VGZ
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BU of 6vgz by Molmil
2.25 A resolution structure of MERS 3CL protease in complex with inhibitor 6d
Descriptor: N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide, Orf1a protein
Authors:Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
Deposit date:2020-01-09
Release date:2020-08-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
5C8E
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BU of 5c8e by Molmil
Crystal structure of Thermus thermophilus CarH bound to adenosylcobalamin and a 26-bp DNA segment
Descriptor: 26-mer DNA segment containing the CarH operator sequence (antisense strand), 26-mer DNA segment containing the CarH operator sequence (sense strand), 5'-DEOXYADENOSINE, ...
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.89 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
6HG4
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BU of 6hg4 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F
Descriptor: Interleukin-17 receptor C, Interleukin-17F
Authors:Rondeau, J.M, Goepfert, A.
Deposit date:2018-08-22
Release date:2020-03-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6HGA
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BU of 6hga by Molmil
Crystal Structure of the human IL-17RC D2-D3-D4 domains in complex with an anti-APP tag Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor C, anti-APP-tag Fab heavy-chain, ...
Authors:Rondeau, J.M, Goepfert, A.
Deposit date:2018-08-23
Release date:2020-03-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
5C8D
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BU of 5c8d by Molmil
Crystal structure of full-length Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Light-dependent transcriptional regulator CarH
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
2X1K
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BU of 2x1k by Molmil
H71S mutant of the antibiotic resistance protein NimA from Deinococcus radiodurans
Descriptor: ACETATE ION, NIMA-RELATED PROTEIN
Authors:Leiros, H.S, Brandsdal, B.O, McSweeney, S.M.
Deposit date:2010-01-07
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biophysical Characterization and Mutational Analysis of the Antibiotic Resistance Protein Nima from Deinococcus Radiodurans.
Biochim.Biophys.Acta, 1804, 2010
6W2A
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BU of 6w2a by Molmil
1.65 A resolution structure of SARS-CoV 3CL protease in complex with inhibitor 7j
Descriptor: (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a, [4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Authors:Kashipathy, M.M, Lovell, S, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C.
Deposit date:2020-03-05
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
7U4W
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BU of 7u4w by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at traditional protein concentration
Descriptor: Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
Authors:Nawarathnage, S, Pedroza Romo, M.J, Smith, T, Bunn, D, Stewart, C, Doukov, T, Moody, J.D.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
7U0Q
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BU of 7u0q by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-02
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:Patel, A, Ortlund, E.
Deposit date:2022-02-18
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
7U4Z
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BU of 7u4z by Molmil
The ubiquitin-associated domain of human thirty-eight negative kinase-1 flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at very low protein concentration
Descriptor: POTASSIUM ION, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1
Authors:Nawarathnage, S, Smith, T, Moody, J.D.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
7U0X
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BU of 7u0x by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-13
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:Patel, A, Ortlund, E.
Deposit date:2022-02-19
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
6HGU
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BU of 6hgu by Molmil
Crystal Structure of an anti-APP-tag Fab
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, anti-APP-tag Fab heavy-chain, ...
Authors:Rondeau, J.M, Goepfert, A.
Deposit date:2018-08-23
Release date:2019-11-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
7TI6
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BU of 7ti6 by Molmil
Crystal structure of the wild-type least mutated common ancestor (LMCA) of the HIV-targeting PCT64 antibody lineage
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PCT64_LMCA Fab heavy chain, PCT64_LMCA light chain (wild type)
Authors:Omorodion, O, Wilson, I.A.
Deposit date:2022-01-12
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
6C09
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BU of 6c09 by Molmil
Ternary crystal structure of the 3C8 TCR-CD1c-monoacylglycerol complex
Descriptor: (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wun, K.S, Rossjohn, J.
Deposit date:2017-12-28
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:T cell autoreactivity directed toward CD1c itself rather than toward carried self lipids.
Nat. Immunol., 19, 2018
5M5E
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BU of 5m5e by Molmil
Crystal structure of a interleukin-2 variant in complex with interleukin-2 receptor
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:Klein, C, Freimoser-Grundschober, A, Waldhauer, I, Stihle, M, Birk, M, Benz, J.
Deposit date:2016-10-21
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cergutuzumab amunaleukin (CEA-IL2v), a CEA-targeted IL-2 variant-based immunocytokine for combination cancer immunotherapy: Overcoming limitations of aldesleukin and conventional IL-2-based immunocytokines.
Oncoimmunology, 6, 2017
3J70
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BU of 3j70 by Molmil
Model of gp120, including variable regions, in complex with CD4 and 17b
Descriptor: Envelope glycoprotein gp120, T-cell surface glycoprotein CD4, envelope glycoprotein gp41, ...
Authors:Rasheed, M, Bettadapura, R, Bajaj, C.
Deposit date:2014-04-22
Release date:2015-08-26
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Computational Refinement and Validation Protocol for Proteins with Large Variable Regions Applied to Model HIV Env Spike in CD4 and 17b Bound State.
Structure, 23, 2015
6HG9
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BU of 6hg9 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F, Crystal form II
Descriptor: Interleukin-17 receptor C, Interleukin-17F
Authors:Rondeau, J.M, Goepfert, A.
Deposit date:2018-08-23
Release date:2020-03-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6HGO
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BU of 6hgo by Molmil
Crystal Structure of human IL-17F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17F, ...
Authors:Rondeau, J.M, Goepfert, A.
Deposit date:2018-08-23
Release date:2019-11-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
5CVT
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BU of 5cvt by Molmil
Structure of a single tryptophan mutant of Acetobacter aceti PurE containing 5-fluorotryptophan, pH 5.4
Descriptor: 2,5,8,11-TETRAOXATRIDECANE, ACETATE ION, CITRIC ACID, ...
Authors:Sullivan, K.L, Kappock, T.J.
Deposit date:2015-07-27
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
6C15
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BU of 6c15 by Molmil
CD1c in complex with phosphatidylcholine
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Wun, K.S, Rossjohn, J.
Deposit date:2018-01-03
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:T cell autoreactivity directed toward CD1c itself rather than toward carried self lipids.
Nat. Immunol., 19, 2018
7T75
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BU of 7t75 by Molmil
HIV-1 Envelope ApexGT2 in complex with RM20A3 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT2 gp120, ...
Authors:Berndsen, Z.T, Ward, A.B.
Deposit date:2021-12-14
Release date:2022-09-28
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022

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