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8Q75
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Copper-transporting ATPase HMA4 in E2P state with AlF
Descriptor: Copper-transporting ATPase HMA4, MAGNESIUM ION, TETRAFLUOROALUMINATE ION
Authors:Guo, Z, Gourdon, P, Wang, K.
Deposit date:2023-08-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Diverse roles of the metal binding domains and transport mechanism of copper transporting P-type ATPases.
Nat Commun, 15, 2024
8Q74
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Copper-transporting ATPase HMA4 in E1 state with Cu
Descriptor: COPPER (II) ION, Copper-transporting ATPase HMA4
Authors:Guo, Z, Gourdon, P, Wang, K.
Deposit date:2023-08-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Diverse roles of the metal binding domains and transport mechanism of copper transporting P-type ATPases.
Nat Commun, 15, 2024
8Q73
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BU of 8q73 by Molmil
Copper-transporting ATPase HMA4 in E1 state apo
Descriptor: Copper-transporting ATPase HMA4
Authors:Guo, Z, Gourdon, P, Wang, K.
Deposit date:2023-08-15
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Diverse roles of the metal binding domains and transport mechanism of copper transporting P-type ATPases.
Nat Commun, 15, 2024
8Q70
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BU of 8q70 by Molmil
tRNA pseudouridine synthase A homodimer
Descriptor: CHLORIDE ION, MAGNESIUM ION, tRNA pseudouridine synthase A
Authors:Pacesa, M, Correia, B.E, Levy, E.D.
Deposit date:2023-08-15
Release date:2023-11-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An atlas of protein homo-oligomerization across domains of life.
Cell, 187, 2024
8Q6Z
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BU of 8q6z by Molmil
Crystal structure of Cytochrome P450 GymB1 from Streptomyces flavidovirens
Descriptor: GLYCEROL, GymB1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Freytag, J, Kelm, T, Stehle, T, Zocher, G.
Deposit date:2023-08-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Intramolecular Coupling and Nucleobase Transfer - How Cytochrome P450 Enzymes GymBx Establish Their Chemoselectivity
Chemcatchem, 16, 2024
8Q6M
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BU of 8q6m by Molmil
Human SOD1 low dose data collecton
Descriptor: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
Authors:Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S.
Deposit date:2023-08-14
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
8Q6K
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BU of 8q6k by Molmil
Human IgD Fab in complex with an orthosteric inhibitor of Phl p 7
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Human IgD Fab heavy chain, ...
Authors:Davies, A.M, Vester, S.K, McDonnell, J.M.
Deposit date:2023-08-11
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Expanding the Anti-Phl p 7 Antibody Toolkit: An Anti-Idiotype Nanobody Inhibitor.
Antibodies, 12, 2023
8Q6F
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BU of 8q6f by Molmil
HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 4)
Descriptor: 1,2-ETHANEDIOL, 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine, GLYCEROL, ...
Authors:Somers, D.O.
Deposit date:2023-08-11
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Covalent targeting of non-cysteine residues in PI4KIII beta.
Rsc Chem Biol, 4, 2023
8Q6C
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BU of 8q6c by Molmil
The RSL-D32N - sulfonato-calix[8]arene complex, P63 form, acetate pH 4.0
Descriptor: Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ...
Authors:Flood, R.J, Crowley, P.B.
Deposit date:2023-08-11
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Supramolecular Synthons in Protein-Ligand Frameworks.
Cryst.Growth Des., 24, 2024
8Q6B
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The RSL-D32N - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, obtained by cross-seeding
Descriptor: Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ...
Authors:Flood, R.J, Crowley, P.B.
Deposit date:2023-08-11
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Supramolecular Synthons in Protein-Ligand Frameworks.
Cryst.Growth Des., 24, 2024
8Q6A
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BU of 8q6a by Molmil
The RSL-D32N - sulfonato-calix[8]arene complex, I213 form, citrate pH 4.0
Descriptor: Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ...
Authors:Flood, R.J, Crowley, P.B.
Deposit date:2023-08-11
Release date:2024-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Supramolecular Synthons in Protein-Ligand Frameworks.
Cryst.Growth Des., 24, 2024
8Q68
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BU of 8q68 by Molmil
Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143
Descriptor: Transcriptional enhancer factor TEF-1, ~{N}-[(3~{S})-5-azanyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2~{H}-quinolin-3-yl]propanamide
Authors:Ciesielski, F, Spieser, S.A.H, Marchand, A, Gwaltney, S.L.
Deposit date:2023-08-11
Release date:2023-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models.
Mol.Cancer Ther., 23, 2024
8Q63
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BU of 8q63 by Molmil
Cryo-EM structure of IC8', a second state of yeast mitochondrial RNA polymerase transcription initiation complex with 8-mer RNA, pppGpGpUpApApApUpG
Descriptor: DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Goovaerts, Q, Shen, J, Patel, S.S, Das, K.
Deposit date:2023-08-10
Release date:2023-08-30
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
8Q61
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BU of 8q61 by Molmil
Co-crystal structure of human AKT2 with compound 3
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one, GLYCEROL, ...
Authors:Harrison, T, Barker, O.
Deposit date:2023-08-10
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification and development of a subtype-selective allosteric AKT inhibitor suitable for clinical development.
Sci Rep, 12, 2022
8Q5X
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BU of 8q5x by Molmil
MgADP-bound Fe protein of the molybdenum nitrogenase from Methanococcus maripaludis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Maslac, N, Wagner, T.
Deposit date:2023-08-09
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Febs J., 2024
8Q5W
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BU of 8q5w by Molmil
MgADP-bound Fe protein of the molybdenum nitrogenase from Methanocaldococcus infernus
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Maslac, N, Wagner, T.
Deposit date:2023-08-09
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Febs J., 2024
8Q5V
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BU of 8q5v by Molmil
MgADP-bound Fe protein of the molybdenum nitrogenase from Methanothermococcus thermolithotrophicus
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Maslac, N, Wagner, T.
Deposit date:2023-08-09
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Febs J., 2024
8Q5U
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BU of 8q5u by Molmil
Endoglycosidase S2 in complex with IgG1 Fc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Sudol, A.S.L, Tews, I, Crispin, M.
Deposit date:2023-08-09
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:The IgG-specific endoglycosidases EndoS and EndoS2 are distinguished by conformation and antibody recognition.
J.Biol.Chem., 300, 2024
8Q5T
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BU of 8q5t by Molmil
Nitrogenase Fe protein from Methanothermococcus thermolithotrophicus, monoclinic crystalline form at 2.31-A resolution
Descriptor: GLYCEROL, IRON/SULFUR CLUSTER, Nitrogenase iron protein 1
Authors:Maslac, N, Wagner, T.
Deposit date:2023-08-09
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Febs J., 2024
8Q5Q
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BU of 8q5q by Molmil
d(ATTTC)3 dimeric structure
Descriptor: DNA (5'-D(*AP*TP*TP*TP*(DNR)P*AP*TP*TP*TP*CP*AP*TP*TP*TP*C)-3')
Authors:Trajkovski, M, Pastore, A, Plavec, J.
Deposit date:2023-08-09
Release date:2024-02-07
Last modified:2024-03-06
Method:SOLUTION NMR
Cite:Dimeric structures of DNA ATTTC repeats promoted by divalent cations.
Nucleic Acids Res., 52, 2024
8Q5N
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BU of 8q5n by Molmil
Apo form of restriction endonuclease NhoI.
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Restriction endonuclease (NhoI)
Authors:Rafalski, D, Krakowska, A, Bochtler, M.
Deposit date:2023-08-09
Release date:2024-07-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural analysis of the BisI family of modification dependent restriction endonucleases.
Nucleic Acids Res., 2024
8Q5L
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BU of 8q5l by Molmil
PqsR coinducer binding domain of Pseudomonas aeruginosa with ligand 2f: 2-(4-(3-((6-chloro-1-isopropyl-1H-benzo[d]imidazol-2-yl)amino)-2-hydroxypropoxy)phenyl)acetonitrile
Descriptor: 2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile, Transcriptional regulator MvfR
Authors:Markham-Lee, Z.J, Emsley, J.
Deposit date:2023-08-09
Release date:2024-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, Synthesis, and Evaluation of New 1 H -Benzo[ d ]imidazole Based PqsR Inhibitors as Adjuvant Therapy for Pseudomonas aeruginosa Infections.
J.Med.Chem., 67, 2024
8Q5D
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BU of 8q5d by Molmil
PfRH5 bound to monoclonal antibody MAD10-466
Descriptor: Monoclonal antibody MAD10-466 heavy chain, Monoclonal antibody MAD10-466 light chain, PfRH5
Authors:Farrell, B, Higgins, M.K.
Deposit date:2023-08-08
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:PfRH5 bound to monoclonal antibody MAD10-466
To Be Published
8Q57
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BU of 8q57 by Molmil
Crystal structure of class II SFP aldolase from Yersinia aldovae (YaSqiA-Zn-SO4) with bound sulfate ions
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, SULFATE ION, ...
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-08-08
Release date:2023-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases.
J.Biol.Chem., 299, 2023
8Q50
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BU of 8q50 by Molmil
Nitrogenase Fe protein from Methanothermococcus thermolithotrophicus, tetragonal crystalline form at 1.91-A resolution
Descriptor: ACETATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Maslac, N, Wagner, T.
Deposit date:2023-08-07
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Febs J., 2024

223532

PDB entries from 2024-08-07

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