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6CCS
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BU of 6ccs by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol
Descriptor: 2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6Z8U
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BU of 6z8u by Molmil
Copper transporter OprC
Descriptor: Putative copper transport outer membrane porin OprC, SILVER ION
Authors:Bhamidimarri, S.P, van den Berg, B.
Deposit date:2020-06-02
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
7UNN
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BU of 7unn by Molmil
Thiol-disulfide oxidoreductase TsdA from Corynebacterium diphtheriae
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin domain-containing protein
Authors:Osipiuk, J, Reardon-Robinson, M, Nguyen, M.T, Sanchez, B, Ton-That, H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-04-11
Release date:2022-04-20
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A cryptic oxidoreductase safeguards oxidative protein folding in Corynebacterium diphtheriae.
Proc.Natl.Acad.Sci.USA, 120, 2023
6Z8Q
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BU of 6z8q by Molmil
Copper transporter OprC
Descriptor: Putative copper transport outer membrane porin OprC, SILVER ION
Authors:Bhamidimarri, S.P, van den Berg, B.
Deposit date:2020-06-02
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
6Z8T
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BU of 6z8t by Molmil
Copper transporter OprC
Descriptor: Putative copper transport outer membrane porin OprC, SILVER ION
Authors:Bhamidimarri, S.P, van den Berg, B.
Deposit date:2020-06-02
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
8JFZ
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BU of 8jfz by Molmil
Cryo-EM structure of Na+,K+-ATPase in the E1.Mg2+ state.
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-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)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Vilsen, B, Cornelius, F, Toyoshima, C.
Deposit date:2023-05-19
Release date:2023-08-09
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Crystal structures of Na + ,K + -ATPase reveal the mechanism that converts the K + -bound form to Na + -bound form and opens and closes the cytoplasmic gate.
Febs Lett., 597, 2023
6TIZ
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BU of 6tiz by Molmil
DROSOPHILA GDP-TUBULIN Y222F MUTANT
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Gigant, B.
Deposit date:2019-11-22
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
7USQ
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BU of 7usq by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcDVPD-CHO
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcDVPD-CHO
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2022-04-25
Release date:2022-06-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
6CHO
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BU of 6cho by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Descriptor: 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
7USO
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BU of 7uso by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcITVKD-CHO
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITVKD-CHO
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2022-04-25
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
6NIJ
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BU of 6nij by Molmil
PGT145 Fab in complex with full length AMC011 HIV-1 Env
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC011 Glycoprotein 120, ...
Authors:Cottrell, C.A, Torrents de la Pena, A, Rantalainen, K, Torres, J.L, Ward, A.B.
Deposit date:2018-12-29
Release date:2019-07-31
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Similarities and differences between native HIV-1 envelope glycoprotein trimers and stabilized soluble trimer mimetics.
Plos Pathog., 15, 2019
7USP
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BU of 7usp by Molmil
Crystal Structure of Caspase-3 with Peptide Inhibitor AcITV(Orn)D-CHO
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITV(Orn)D-CHO
Authors:Fuller, J.L, Finzel, B.C.
Deposit date:2022-04-25
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
6CKW
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BU of 6ckw by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile
Descriptor: (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-03-01
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6Z91
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BU of 6z91 by Molmil
Copper transporter OprC
Descriptor: Putative copper transport outer membrane porin OprC, SILVER ION
Authors:Bhamidimarri, S.P, van den Berg, B.
Deposit date:2020-06-03
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
6CCO
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BU of 6cco by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-((1S,2S)-2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)cyclopentyl)benzoic acid
Descriptor: 3-[(1S,2S)-2-(7-hydroxy-1H-benzimidazol-2-yl)cyclopentyl]benzoic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6NK2
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BU of 6nk2 by Molmil
EphA2 LBD in complex with bA-WLA-YRPK bio peptide
Descriptor: DI(HYDROXYETHYL)ETHER, Ephrin type-A receptor 2, bA-WLA-YPRKbio peptide
Authors:Lechtenberg, B.C, Pasquale, E.B.
Deposit date:2019-01-04
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling.
J.Biol.Chem., 294, 2019
6QFC
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BU of 6qfc by Molmil
Structure of an anti-Mcl1 scFv
Descriptor: DIMETHYL SULFOXIDE, Induced myeloid leukemia cell differentiation protein Mcl-1, scFv55
Authors:Luptak, J.
Deposit date:2019-01-09
Release date:2019-11-06
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1.
Acta Crystallogr D Struct Biol, 75, 2019
6Z99
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BU of 6z99 by Molmil
Copper transporter OprC
Descriptor: Putative copper transport outer membrane porin OprC, SILVER ION
Authors:Bhamidimarri, S.P, van den Berg, B.
Deposit date:2020-06-03
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
5JSB
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BU of 5jsb by Molmil
Crystal structure of Mcl1-inhibitor complex
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2016-05-07
Release date:2016-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
6CCQ
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BU of 6ccq by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
Descriptor: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6QFM
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BU of 6qfm by Molmil
Structure of human Mcl-1 in complex with PUMA BH3 peptide
Descriptor: Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6MC9
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BU of 6mc9 by Molmil
Crystal Structure of Human Nav1.4 C-Terminal (1599-1754) domain in complex with calcium-bound calmodulin
Descriptor: CALCIUM ION, Calmodulin-1, Sodium channel protein type 4 subunit alpha
Authors:Yoder, J.B, Gabelli, S.B, Amzel, L.M.
Deposit date:2018-08-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Ca2+-dependent regulation of sodium channels NaV1.4 and NaV1.5 is controlled by the post-IQ motif.
Nat Commun, 10, 2019
5JY6
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BU of 5jy6 by Molmil
Structures of Streptococcus agalactiae GBS GAPDH in different enzymatic states
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Schormann, N, Chattopadhyay, D.
Deposit date:2016-05-13
Release date:2016-12-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Group B Streptococcus Glyceraldehyde-3-Phosphate Dehydrogenase: Apo-Form, Binary and Ternary Complexes.
PLoS ONE, 11, 2016
5K0S
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BU of 5k0s by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1312
Descriptor: 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one, Methionine--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-05-17
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
7BN8
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BU of 7bn8 by Molmil
Notum fragment_3 (4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2021-01-21
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Notum Inhibitor
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224004

PDB entries from 2024-08-21

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