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4F2F
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BU of 4f2f by Molmil
Crystal structure of the metal binding domain (MBD) of the Streptococcus pneumoniae D39 Cu(I) exporting P-type ATPase CopA with Cu(I)
Descriptor: CHLORIDE ION, COPPER (I) ION, Cation-transporting ATPase, ...
Authors:Fu, Y, Dann III, C.E, Giedroc, D.P.
Deposit date:2012-05-07
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A new structural paradigm in copper resistance in Streptococcus pneumoniae.
Nat.Chem.Biol., 9, 2013
2FT3
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BU of 2ft3 by Molmil
Crystal structure of the biglycan dimer core protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Biglycan, CITRATE ANION
Authors:Scott, P.G, Dodd, C.M, Bergmann, E.M.
Deposit date:2006-01-23
Release date:2006-03-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal Structure of the Biglycan Dimer and Evidence That Dimerization Is Essential for Folding and Stability of Class I Small Leucine-rich Repeat Proteoglycans.
J.Biol.Chem., 281, 2006
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-02-25
Release date:2023-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7Y44
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BU of 7y44 by Molmil
Re-refinement of damage free X-ray structure of bovine cytochrome c oxidase at 1.9 angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Tsukihara, T, Hirata, K, Ago, H.
Deposit date:2022-06-14
Release date:2022-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014
8F6R
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BU of 8f6r by Molmil
CryoEM structure of designed modular protein oligomer C6-79
Descriptor: De novo designed oligomeric protein C6-79
Authors:Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G.
Deposit date:2022-11-17
Release date:2023-11-29
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies.
Cell, 2024
6KY6
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BU of 6ky6 by Molmil
Crystal structure of a thermostable aldo-keto reductase Tm1743 in complexs with inhibitor epalrestat in space group P3221cc
Descriptor: 2,5-diketo-D-gluconic acid reductase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, C.Y, Min, Z.Z, Liu, X.M, Wang, C, Tang, W.R.
Deposit date:2019-09-16
Release date:2019-10-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Tolrestat acts atypically as a competitive inhibitor of the thermostable aldo-keto reductase Tm1743 from Thermotoga maritima.
Febs Lett., 594, 2020
8F6Q
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BU of 8f6q by Molmil
CryoEM structure of designed modular protein oligomer C8-71
Descriptor: C8-71
Authors:Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G.
Deposit date:2022-11-17
Release date:2023-11-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies.
Biorxiv, 2023
8H08
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BU of 8h08 by Molmil
SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
Descriptor: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-09-28
Release date:2023-05-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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BU of 8h07 by Molmil
SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
Descriptor: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-09-28
Release date:2023-05-31
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
5LRN
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BU of 5lrn by Molmil
Structure of mono-zinc MCR-1 in P21 space group
Descriptor: GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Hinchliffe, P, Paterson, N.G, Spencer, J.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
5LRM
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BU of 5lrm by Molmil
Structure of di-zinc MCR-1 in P41212 space group
Descriptor: GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
8C0F
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BU of 8c0f by Molmil
Tubulin-PTC596 complex
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ...
Authors:Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O.
Deposit date:2022-12-16
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1005 Å)
Cite:Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent
Mol Cancer Ther, 20, 2021
8BRE
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BU of 8bre by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK)
Descriptor: Anhydro-N-acetylmuramic acid kinase, CHLORIDE ION
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2022-11-23
Release date:2023-09-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
8CPB
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BU of 8cpb by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with AMPPNP, and AnhMurNAc at 1.7 Angstroms resolution.
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, GLYCEROL, ...
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2023-03-02
Release date:2023-09-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
8CP9
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BU of 8cp9 by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK)in complex with non-hydrolyzable AMPPNP.
Descriptor: Anhydro-N-acetylmuramic acid kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2023-03-02
Release date:2023-09-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
8C0U
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BU of 8c0u by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with their natural substrates and products
Descriptor: (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2022-12-19
Release date:2023-09-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
5M1A
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BU of 5m1a by Molmil
Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
5M18
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BU of 5m18 by Molmil
Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
7OK9
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BU of 7ok9 by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with pentaglycine
Descriptor: CADMIUM ION, CHLORIDE ION, Penicillin-binding protein 1, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-05-17
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O49
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BU of 7o49 by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, CHLORIDE ION, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
5M19
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BU of 5m19 by Molmil
Crystal structure of PBP2a from MRSA in the presence of Oxacillin ligand
Descriptor: CADMIUM ION, Penicillin-binding protein 2, beta-muramic acid
Authors:Molina, R, Batuecas, M.T, Hermoso, J.A.
Deposit date:2016-10-07
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis.
J. Am. Chem. Soc., 139, 2017
5MMH
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BU of 5mmh by Molmil
The X-Ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa
Descriptor: HTH-type transcriptional activator AmpR
Authors:Hermoso, J.A, Dominguez gil Velasco, T.
Deposit date:2016-12-09
Release date:2017-01-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Muropeptide Binding and the X-ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
7O4B
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BU of 7o4b by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with penicillin G
Descriptor: CITRIC ACID, OPEN FORM - PENICILLIN G, Penicillin-binding protein 1, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O4A
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BU of 7o4a by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with piperacillin
Descriptor: Hydrolyzed piperacillin, Penicillin-binding protein 1
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.028 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7O4C
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BU of 7o4c by Molmil
Crystal structure of PASTA domains of the Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus
Descriptor: CHLORIDE ION, Penicillin-binding protein 1
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-04-05
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021

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