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7NII
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BU of 7nii by Molmil
Wzc-K540M MgADP C1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative transmembrane protein Wzc
Authors:Naismith, J.H, Liu, J.W, Yang, Y.
Deposit date:2021-02-12
Release date:2021-08-25
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:The molecular basis of regulation of bacterial capsule assembly by Wzc.
Nat Commun, 12, 2021
7NI2
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BU of 7ni2 by Molmil
Wzc-K540M-4YE C8
Descriptor: Tyrosine-protein kinase
Authors:Naismith, J.H, Liu, J.W, Yang, Y.
Deposit date:2021-02-11
Release date:2021-08-25
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:The molecular basis of regulation of bacterial capsule assembly by Wzc.
Nat Commun, 12, 2021
7NIB
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BU of 7nib by Molmil
Wzc-K540M-4YE C1
Descriptor: Tyrosine-protein kinase
Authors:Naismith, J.H, Liu, J.W, Yang, Y.
Deposit date:2021-02-11
Release date:2021-08-25
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:The molecular basis of regulation of bacterial capsule assembly by Wzc.
Nat Commun, 12, 2021
7NG7
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BU of 7ng7 by Molmil
Src kinase bound to eCF506 trapped in inactive conformation
Descriptor: 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate
Authors:Lietha, D, Unciti-Broceta, A.
Deposit date:2021-02-08
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Conformation Selective Mode of Inhibiting SRC Improves Drug Efficacy and Tolerability.
Cancer Res., 81, 2021
2M6U
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BU of 2m6u by Molmil
NMR Structure of CbpAN from Streptococcus pneumoniae
Descriptor: Choline binding protein A
Authors:Liu, A, Yan, H, Achila, D, Martinez-Hackert, E, Li, Y, Banerjee, R.
Deposit date:2013-04-10
Release date:2014-04-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural determinants of host specificity of complement Factor H recruitment by Streptococcus pneumoniae.
Biochem.J., 465, 2015
7N4I
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BU of 7n4i by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2057.
Descriptor: GLYCEROL, Spike protein S1, WRAIR-2057 Antibody Fab Heavy Chain, ...
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2021-06-04
Release date:2021-10-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.284 Å)
Cite:Low-dose in vivo protection and neutralization across SARS-CoV-2 variants by monoclonal antibody combinations.
Nat.Immunol., 22, 2021
7N4J
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BU of 7n4j by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2173.
Descriptor: Spike protein S1, WRAIR-2173 antibody Fab heavy chain, WRAIR-2173 antibody Fab light chain, ...
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2021-06-04
Release date:2021-10-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Low-dose in vivo protection and neutralization across SARS-CoV-2 variants by monoclonal antibody combinations.
Nat.Immunol., 22, 2021
7N12
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BU of 7n12 by Molmil
Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION, [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate
Authors:Kalthoff, E, Schmeing, M.
Deposit date:2021-05-26
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.
Plos Pathog., 17, 2021
7N11
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BU of 7n11 by Molmil
Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION
Authors:Kalthoff, E, Schmeing, M.
Deposit date:2021-05-26
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.
Plos Pathog., 17, 2021
7NL4
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BU of 7nl4 by Molmil
OsNIP2;1 silicon transporter from rice
Descriptor: Aquaporin NIP2-1, CADMIUM ION
Authors:van den Berg, B.
Deposit date:2021-02-22
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for Silicic Acid Uptake by Higher Plants.
J.Mol.Biol., 433, 2021
7N4M
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BU of 7n4m by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2151.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, WRAIR-2151 antibody Fab heavy chain, ...
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2021-06-04
Release date:2021-11-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Low-dose in vivo protection and neutralization across SARS-CoV-2 variants by monoclonal antibody combinations.
Nat.Immunol., 22, 2021
7MXE
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BU of 7mxe by Molmil
Ab1245 Fab in complex with BG505 SOSIP.664 and 8ANC195 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, 8ANC195 G52K5 Fab heavy chain, ...
Authors:Abernathy, M.E, Bjorkman, P.J.
Deposit date:2021-05-19
Release date:2021-10-27
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Antibody elicited by HIV-1 immunogen vaccination in macaques displaces Env fusion peptide and destroys a neutralizing epitope.
Npj Vaccines, 6, 2021
4G8G
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BU of 4g8g by Molmil
Crystal Structure of C12C TCR-HA B2705-KK10
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
Authors:Gras, S, Wilmann, P.G, Rossjohn, J.
Deposit date:2012-07-23
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Molecular Basis for the Control of Preimmune Escape Variants by HIV-Specific CD8(+) T Cells.
Immunity, 38, 2013
7N4L
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BU of 7n4l by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2125.
Descriptor: Spike protein S1, WRAIR-2125 antibody Fab heavy chain, WRAIR-2125 antibody Fab light chain
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2021-06-04
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.601 Å)
Cite:Low-dose in vivo protection and neutralization across SARS-CoV-2 variants by monoclonal antibody combinations.
Nat.Immunol., 22, 2021
2MA4
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BU of 2ma4 by Molmil
Solution NMR Structure of yahO protein from Salmonella typhimurium, Northeast Structural Genomics Consortium (NESG) Target StR106
Descriptor: Putative periplasmic protein
Authors:Eletsky, A, Zhang, Q, Liu, G, Wang, H, Nwosu, C, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-06-27
Release date:2013-08-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
7N9L
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BU of 7n9l by Molmil
KirBac3.1 C71S C262S
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, POTASSIUM ION, ...
Authors:Gulbis, J.M, Black, K.A.
Deposit date:2021-06-18
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ion currents through Kir potassium channels are gated by anionic lipids.
Nat Commun, 13, 2022
3T9A
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BU of 3t9a by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP at pH 7.0
Descriptor: CADMIUM ION, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ...
Authors:Wang, H, Falck, J, Hall, T.M.T, Shears, S.B.
Deposit date:2011-08-02
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
7N9K
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BU of 7n9k by Molmil
KirBac3.1 L124M mutant
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, N-OCTANE, ...
Authors:Black, T.A, Gulbis, J.M.
Deposit date:2021-06-18
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Ion currents through Kir potassium channels are gated by anionic lipids.
Nat Commun, 13, 2022
4DVW
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BU of 4dvw by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with MAE-II-167
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide, ...
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2012-02-23
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site.
Plos One, 9, 2014
4DA5
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BU of 4da5 by Molmil
Choline Kinase alpha acts through a double-displacement kinetic mechanism involving enzyme isomerisation, as determined through enzyme and inhibitor kinetics and structural biology
Descriptor: (3R)-1-azabicyclo[2.2.2]oct-3-yl[bis(5-chlorothiophen-2-yl)]methanol, Choline kinase alpha, SULFATE ION
Authors:Brown, K, Hudson, C, Charlton, P, Pollard, J.
Deposit date:2012-01-12
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinetic and mechanistic characterisation of Choline Kinase-alpha.
Biochim.Biophys.Acta, 1834, 2013
3T9D
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BU of 3t9d by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP and 5-(PP)-IP5 (5-IP7)
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol Pyrophosphate Kinase, MAGNESIUM ION, ...
Authors:Wang, H, Falck, J, Hall, T.M.T, Shears, S.B.
Deposit date:2011-08-02
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
3SSN
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BU of 3ssn by Molmil
MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg, SAH, and Mycinamycin VI
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Akey, D.L, Smith, J.L.
Deposit date:2011-07-08
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
J.Mol.Biol., 413, 2011
3SSO
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BU of 3sso by Molmil
MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg and SAH, Crystal form 2
Descriptor: MAGNESIUM ION, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Akey, D.L, Smith, J.L.
Deposit date:2011-07-08
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
J.Mol.Biol., 413, 2011
3T53
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BU of 3t53 by Molmil
Crystal structures of the extrusion state of the CusBA adaptor-transporter complex
Descriptor: COPPER (II) ION, Cation efflux system protein CusA, Cation efflux system protein CusB
Authors:Su, C.-C, Long, F, Yu, E.W.
Deposit date:2011-07-26
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Charged Amino Acids (R83, E567, D617, E625, R669, and K678) of CusA Are Required for Metal Ion Transport in the Cus Efflux System.
J.Mol.Biol., 422, 2012
2N71
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BU of 2n71 by Molmil
NMR structure of CmPI-II, a serin protease inhibitor isolated from mollusk Cenchitis muricatus
Descriptor: Protease inhibitor 2
Authors:Cabrera-Munoz, A, Rojas, L, Alonso del Rivero Antigua, M, Pires, J.
Deposit date:2015-09-01
Release date:2016-09-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structure of CmPI-II, a non-classical Kazal protease inhibitor: Understanding its conformational dynamics and subtilisin A inhibition.
J.Struct.Biol., 206, 2019

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