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8TB2
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BU of 8tb2 by Molmil
Structure of SasG (type II) (residues 165-421) from Staphylococcus aureus MW2
Descriptor: CALCIUM ION, Putative surface protein MW2416, SODIUM ION, ...
Authors:Maciag, J.J, Herr, A.B.
Deposit date:2023-06-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Staphylococcus aureus skin colonization is mediated by SasG lectin variation.
Cell Rep, 43, 2024
7L89
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BU of 7l89 by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-4 from animal Rh.32034 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP MD39 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Rantalainen, K, Perrett, H.R, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L90
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BU of 7l90 by Molmil
BG505 SOSIP.v5.2 N241/N289 in complex with the polyclonal Fab pAbC-8 from animal Rh.33311 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP.v5.2 N241/N289 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Ward, A.B.
Deposit date:2021-01-01
Release date:2021-08-04
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L8E
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BU of 7l8e by Molmil
BG505 SOSIP.v5.2(7S) in complex with the polyclonal Fab pAbC-1 from animal Rh.33172 (Wk38 time point)
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:Antanasijevic, A, Sewall, L.M, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2021-09-08
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
4XMA
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BU of 4xma by Molmil
Crystal structure of the K499G mutant of NanB sialidase from streptococcus pneumoniae in complex with Optactin
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2015-01-14
Release date:2016-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XQW
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BU of 4xqw by Molmil
X-ray structure analysis of xylanase-N44E with MES at pH6.0
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
7L8D
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BU of 7l8d by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-4 from animal Rh.33104 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP MD39 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L88
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BU of 7l88 by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-3 from animal Rh.32034 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP MD39 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Cannac, F, Perrett, H.R, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7L8B
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BU of 7l8b by Molmil
BG505 SOSIP MD39 in complex with the polyclonal Fab pAbC-2 from animal Rh.33104 (Wk26 time point)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 SOSIP MD39 - gp120, ...
Authors:Antanasijevic, A, Sewall, L.M, Yang, Y.R, Perrett, H.R, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
7UWE
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BU of 7uwe by Molmil
CryoEM Structure of E. coli Transcription-Coupled Ribonucleotide Excision Repair (TC-RER) complex
Descriptor: DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Hao, Z.T, Grower, M, Bharati, B, Proshkin, S, Epshtein, V, Svetlov, V, Nudler, E, Shamovsky, I.
Deposit date:2022-05-03
Release date:2023-05-31
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:RNA polymerase drives ribonucleotide excision DNA repair in E. coli.
Cell, 186, 2023
7L8G
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BU of 7l8g by Molmil
BG505 SOSIP.v5.2(7S) in complex with the polyclonal Fab pAbC-3 from animal Rh.33172 (Wk38 time point)
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:Antanasijevic, A, Sewall, L.M, Rantalainen, K, Ward, A.B.
Deposit date:2020-12-31
Release date:2021-08-04
Last modified:2021-09-08
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Polyclonal antibody responses to HIV Env immunogens resolved using cryoEM.
Nat Commun, 12, 2021
7TZ0
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BU of 7tz0 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with FSR22, an anti-SARS-CoV-2 DARPin (Local refinement of FSR22 and RBD)
Descriptor: DARPin FSR22, Spike glycoprotein
Authors:Kwon, Y.D, Gorman, J, Kwong, P.D.
Deposit date:2022-02-15
Release date:2022-12-07
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:A potent and broad neutralization of SARS-CoV-2 variants of concern by DARPins.
Nat.Chem.Biol., 19, 2023
5EIT
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BU of 5eit by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the imidazopyridine derivative 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol
Descriptor: 2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-10-30
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4XTW
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BU of 4xtw by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with azide in place of 2'OH
Descriptor: 1,2-ETHANEDIOL, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.30014467 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTZ
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BU of 4xtz by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 69 that has a fluorine in place of the ribose 2'OH
Descriptor: 9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.90000677 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU2
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BU of 4xu2 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose
Descriptor: 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8500284 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
5MWV
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BU of 5mwv by Molmil
Solid-state NMR Structure of outer membrane protein G in lipid bilayers
Descriptor: Outer membrane protein G
Authors:Retel, J.S, Nieuwkoop, A.J, Hiller, M, Higman, V.A, Barbet-Massin, E, Stanek, J, Andreas, L.B, Franks, W.T, van Rossum, B.-J, Vinothkumar, K.R, Handel, L, de Palma, G.G, Bardiaux, B, Pintacuda, G, Emsley, L, Kuelbrandt, W, Oschkinat, H.
Deposit date:2017-01-20
Release date:2017-12-27
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Structure of outer membrane protein G in lipid bilayers.
Nat Commun, 8, 2017
6STF
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BU of 6stf by Molmil
Human Rab8a phosphorylated at Ser111 in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-8A
Authors:Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K.
Deposit date:2019-09-10
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72.
Biochem.J., 477, 2020
4XLP
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BU of 4xlp by Molmil
Crystal structure of T.aquaticus transcription initiation complex containing upstream fork promoter
Descriptor: DNA (25-MER), DNA (30-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of a bacterial RNA polymerase holoenzyme open promoter complex.
Elife, 4, 2015
4XPV
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BU of 4xpv by Molmil
Neutron and X-ray structure analysis of xylanase: N44D at pH6
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-18
Release date:2015-09-30
Last modified:2023-09-27
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
8E1I
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BU of 8e1i by Molmil
Asp1 kinase in complex with ATP Mg 5-IP7
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ADENOSINE-5'-TRIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-10
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8GHV
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BU of 8ghv by Molmil
Cannabinoid Receptor 1-G Protein Complex
Descriptor: (5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Krishna Kumar, K, Robertson, M.J, Skiniotis, G, Kobilka, B.K.
Deposit date:2023-03-12
Release date:2023-05-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for activation of CB1 by an endocannabinoid analog.
Nat Commun, 14, 2023
3ZUK
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BU of 3zuk by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ZINC METALLOPROTEASE ZMP1 IN COMPLEX WITH INHIBITOR
Descriptor: 2,2',2''-NITRILOTRIETHANOL, ACETATE ION, CALCIUM ION, ...
Authors:Ferraris, D.M, Sbardella, D, Petrera, A, Marini, S, Amstutz, B, Coletta, M, Sander, P, Rizzi, M.
Deposit date:2011-07-19
Release date:2011-08-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Mycobacterium Tuberculosis Zinc-Dependent Metalloprotease-1 (Zmp1), a Metalloprotease Involved in Pathogenicity.
J.Biol.Chem., 286, 2011
8E1T
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BU of 8e1t by Molmil
Asp1 kinase in complex with ADPNP Mg IP7
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-11
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022

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