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2RHO
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BU of 2rho by Molmil
Synthetic Gene Encoded Bacillus Subtilis FtsZ NCS Dimer with Bound GDP and GTP-gamma-S
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell Division Protein ftsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-10-09
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer.
BMC Biotechnol., 9, 2009
2RHL
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BU of 2rhl by Molmil
Synthetic Gene Encoded Bacillus Subtilis FtsZ NCS Dimer with Bound GDP
Descriptor: Cell Division Protein ftsZ, GUANOSINE-5'-DIPHOSPHATE
Authors:Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-10-09
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer.
BMC Biotechnol., 9, 2009
2RHH
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BU of 2rhh by Molmil
Synthetic Gene Encoded Bacillus Subtilis FtsZ with Bound Sulfate Ion
Descriptor: Cell Division Protein ftsZ, SULFATE ION
Authors:Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
Deposit date:2007-10-09
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer.
BMC Biotechnol., 9, 2009
6NTY
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BU of 6nty by Molmil
2.1 A resolution structure of the Musashi-2 (Msi2) RNA recognition motif 1 (RRM1) domain
Descriptor: PHOSPHATE ION, RNA-binding protein Musashi homolog 2
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Lan, L, Xiaoqing, W, Cooper, A, Gao, F.P, Xu, L.
Deposit date:2019-01-30
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal and solution structures of human oncoprotein Musashi-2 N-terminal RNA recognition motif 1.
Proteins, 88, 2020
6NKL
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BU of 6nkl by Molmil
2.2 A resolution structure of VapBC-1 from nontypeable Haemophilus influenzae
Descriptor: Antitoxin VapB1, Ribonuclease VapC
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Molinaro, A.L, Daines, D.A.
Deposit date:2019-01-07
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of VapBC-1 from Nontypeable Haemophilus influenzae and the Effect of PIN Domain Mutations on Survival during Infection.
J.Bacteriol., 201, 2019
6UJI
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BU of 6uji by Molmil
Low resolution crystal structure (5.5 A) of the anthrax toxin protective antigen heptamer prepore D425A mutant
Descriptor: Protective antigen PA-63
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Bann, J.G.
Deposit date:2019-10-03
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Structure of the anthrax protective antigen D425A dominant negative mutant reveals a stalled intermediate state of pore maturation.
J.Mol.Biol., 2022
6VGY
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BU of 6vgy by Molmil
2.05 A resolution structure of MERS 3CL protease in complex with inhibitor 6b
Descriptor: N~2~-{[(trans-4-ethylcyclohexyl)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 (2.05 Å)
Cite:3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
6VH3
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BU of 6vh3 by Molmil
2.20 A resolution structure of MERS 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, 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 (2.2 Å)
Cite:3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
6VH2
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BU of 6vh2 by Molmil
2.26 A resolution structure of MERS 3CL protease in complex with inhibitor 7i
Descriptor: 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 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 (2.26 Å)
Cite:3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
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
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
3R9I
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BU of 3r9i by Molmil
2.6A resolution structure of MinD complexed with MinE (12-31) peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division topological specificity factor, Septum site-determining protein minD
Authors:Lovell, S, Battaile, K.P, Park, K.-T, Wu, W, Holyoak, T, Lutkenhaus, J.
Deposit date:2011-03-25
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Min Oscillator Uses MinD-Dependent Conformational Changes in MinE to Spatially Regulate Cytokinesis.
Cell(Cambridge,Mass.), 146, 2011
3UR9
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BU of 3ur9 by Molmil
1.65A resolution structure of Norwalk Virus Protease Containing a covalently bound dipeptidyl inhibitor
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like protease, CHLORIDE ION
Authors:Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O.
Deposit date:2011-11-21
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
3UR6
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BU of 3ur6 by Molmil
1.5A resolution structure of apo Norwalk Virus Protease
Descriptor: 3C-like protease
Authors:Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O.
Deposit date:2011-11-21
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
5HKW
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BU of 5hkw by Molmil
Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution
Descriptor: E3 ubiquitin-protein ligase CBL, SODIUM ION
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Apo c-Cbl TKBD Refined to 2.25 A Resolution
To be published
5HKY
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BU of 5hky by Molmil
Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase CBL, PENTAETHYLENE GLYCOL, ...
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of c-Cbl TKBD domain in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8A Resolution (P6 form)
To be published
5HKZ
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BU of 5hkz by Molmil
Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form)
Descriptor: E3 ubiquitin-protein ligase CBL, Protein sprouty homolog 2, SODIUM ION
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (36-60, pY55) Refined to 1.8 A Resolution (P21 form)
To be published
5HL0
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BU of 5hl0 by Molmil
Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (54-60, pY55) Refined to 2.2A Resolution
Descriptor: E3 ubiquitin-protein ligase CBL, SODIUM ION, Sprouty 2 (SPRY2)
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of c-Cbl TKBD in complex with SPRY2 peptide (54-60, pY55) Refined to 2.2A Resolution
To Be Published
5HKX
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BU of 5hkx by Molmil
Crystal Structure of c-Cbl TKBD-RING domains (Y371E mutant) Refined to 1.85 A Resolution
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase CBL, SODIUM ION, ...
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Zhang, N, Cooper, A, Gao, P, Perez, R.P.
Deposit date:2016-01-14
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of c-Cbl TKBD-RING domains (Y371E mutant) Refined to 1.85 A Resolution
To be published
5IXE
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BU of 5ixe by Molmil
1.75A RESOLUTION STRUCTURE OF 5-Fluoroindole BOUND BETA-GLYCOSIDASE (W33G) FROM SULFOLOBUS SOLFATARICUS
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-1H-indole, Beta-galactosidase, ...
Authors:Lovell, S, Battaile, K.P, Mehzabeen, N, Budiardjo, S.J, Karanicolas, J.
Deposit date:2016-03-23
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Full and Partial Agonism of a Designed Enzyme Switch.
ACS Synth Biol, 5, 2016
8EJX
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BU of 8ejx by Molmil
Crystal structure of human cyclophilin D (CypD) with in complex with the covalently bound Ebselen inhibitor
Descriptor: N-phenyl-2-selanylbenzamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Lovell, S, Battaile, K.P, Yan, S.
Deposit date:2022-09-19
Release date:2023-10-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:New cyclophilin D inhibitor rescues mitochondrial and cognitive function in Alzheimer's disease.
Brain, 2023
4DCD
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BU of 4dcd by Molmil
1.6A resolution structure of PolioVirus 3C Protease Containing a covalently bound dipeptidyl inhibitor
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Genome polyprotein, ...
Authors:Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O.
Deposit date:2012-01-17
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
4DM0
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BU of 4dm0 by Molmil
TN5 transposase: 20MER OUTSIDE END 2 MN complex
Descriptor: 1,2-ETHANEDIOL, DNA NON-TRANSFERRED STRAND, DNA TRANSFERRED STRAND, ...
Authors:Klenchin, V.A, Lovell, S, Goryshin, I.Y, Reznikoff, W.R, Rayment, I.
Deposit date:2012-02-06
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two-metal active site binding of a TN5 transposase synaptic complex
Nat.Struct.Biol., 9, 2002
4E6K
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BU of 4e6k by Molmil
2.0 A resolution structure of Pseudomonas aeruginosa bacterioferritin (BfrB) in complex with bacterioferritin associated ferredoxin (Bfd)
Descriptor: Bacterioferritin, FE2/S2 (INORGANIC) CLUSTER, PHOSPHATE ION, ...
Authors:Lovell, S, Battaile, K.P, Yao, H, Wang, Y, Kumar, R, Ruvinsky, A, Vasker, I, Rivera, M.
Deposit date:2012-03-15
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of the BfrB-Bfd Complex Reveals Protein-Protein Interactions Enabling Iron Release from Bacterioferritin.
J.Am.Chem.Soc., 134, 2012

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