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9B5E
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BU of 9b5e by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - Ub(T) class 10 map and model from consensus
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, Large ribosomal subunit protein eL40B, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 633, 2024
6LAV
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BU of 6lav by Molmil
MicroED structure of lysozyme at 1.73A determained using crystal lamellas prepared by focused ion beam milling
Descriptor: ACETATE ION, Lysozyme C
Authors:Zhou, H, Luo, Z, Li, X.
Deposit date:2019-11-13
Release date:2019-11-27
Last modified:2024-10-23
Method:ELECTRON CRYSTALLOGRAPHY (1.73 Å)
Cite:Using focus ion beam to prepare crystal lamella for electron diffraction.
J. Struct. Biol., 205, 2019
9BLG
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BU of 9blg by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892
Descriptor: (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Bester, S.M, Wu, W.-I, Mou, T.-C.
Deposit date:2024-04-30
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy.
Cancer Discov, 13, 2023
5JWL
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BU of 5jwl by Molmil
Factor Inhibiting HIF D201E in Complex with Zn, and Alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Taabazuing, C.Y, Garman, S.C, Eron, S, Knapp, M.J.
Deposit date:2016-05-12
Release date:2017-05-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Factor Inhibiting HIF D201E in Complex with Zn, and Alpha-Ketoglutarate
To Be Published
9B92
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BU of 9b92 by Molmil
Cryo-EM structure of the human TRPM4 in complex with calcium at 18 degrees Celsius
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
5JWV
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BU of 5jwv by Molmil
T4 Lysozyme L99A/M102Q with Ethylbenzene Bound
Descriptor: Endolysin, PHENYLETHANE
Authors:Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y.
Deposit date:2016-05-12
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
9B8X
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BU of 9b8x by Molmil
Cryo-EM structure of the human TRPM4 channel subunit in complex with calcium 37 degrees Celsius
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
5K36
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BU of 5k36 by Molmil
Structure of an eleven component nuclear RNA exosome complex bound to RNA
Descriptor: Exosome complex component CSL4, Exosome complex component MTR3, Exosome complex component RRP4, ...
Authors:Lima, C.D, Zinder, J.C.
Deposit date:2016-05-19
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Nuclear RNA Exosome at 3.1 angstrom Reveals Substrate Specificities, RNA Paths, and Allosteric Inhibition of Rrp44/Dis3.
Mol.Cell, 64, 2016
5K4L
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BU of 5k4l by Molmil
Crystal structure of KDM5A in complex with a naphthyridone inhibitor
Descriptor: Lysine-specific demethylase 5A, NICKEL (II) ION, Unknown Peptide, ...
Authors:Kiefer, J.R, Vinogradova, M.V.
Deposit date:2016-05-20
Release date:2016-08-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.179 Å)
Cite:Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
9B8Y
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BU of 9b8y by Molmil
Cryo-EM structure of the human TRPM4 channel in complex with calcium and decavanadate at 37 degrees Celsius
Descriptor: CALCIUM ION, DECAVANADATE, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
9B8W
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BU of 9b8w by Molmil
Cryo-EM structure of the human TRPM4 in complex with calcium at 37 degrees Celsius
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily M member 4
Authors:Hu, J, Lu, W, Du, J.
Deposit date:2024-04-01
Release date:2024-05-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Physiological temperature drives TRPM4 ligand recognition and gating.
Nature, 630, 2024
5K4W
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BU of 5k4w by Molmil
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NADH and L-threonine refined to 1.72 angstroms
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-threonine 3-dehydrogenase, ...
Authors:Adjogatse, E.A, Erskine, P.T, Cooper, J.B.
Deposit date:2016-05-22
Release date:2018-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
9B3Q
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BU of 9b3q by Molmil
The structure of the human cardiac F-actin mutant A331P
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
Authors:Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A.
Deposit date:2024-03-20
Release date:2024-05-29
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of human cardiac actin
To Be Published
5JX4
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BU of 5jx4 by Molmil
Crystal structure of E36-G37del mutant of the Bacillus caldolyticus cold shock protein.
Descriptor: Cold shock protein CspB, SULFATE ION
Authors:Carvajal, A, Castro-Fernandez, V, Cabrejos, D, Fuentealba, M, Pereira, H.M, Vallejos, G, Cabrera, R, Garratt, R.C, Komives, E.A, Ramirez-Sarmiento, C.A, Babul, J.
Deposit date:2016-05-12
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unusual dimerization of a BcCsp mutant leads to reduced conformational dynamics.
FEBS J., 284, 2017
9BNJ
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BU of 9bnj by Molmil
Proteus vulgaris tryptophan indole-lyase aminoacrylate complex with benzimidazole
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, CHLORIDE ION, ...
Authors:Phillips, R.S.
Deposit date:2024-05-02
Release date:2024-05-29
Last modified:2025-02-12
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Snapshots of Proteus vulgaris Tryptophan Indole-Lyase Reveal Insights into the Catalytic Mechanism.
Acs Catalysis, 14, 2024
9B55
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BU of 9b55 by Molmil
Ubiquitin E2-Ub-E3 HECT tetrahedral transthiolation intermediate mimic - state 1
Descriptor: 4-aminobutanenitrile, E3 ubiquitin-protein ligase pub2, Ubiquitin, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 633, 2024
9B5G
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BU of 9b5g by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (doubly Ub-loaded) - cluster 2 map and model (Ub(A)/ATP/Mg)
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, Large ribosomal subunit protein eL40B, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 633, 2024
5K6N
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BU of 5k6n by Molmil
Structure of a GH3 b-glicosidase from cow rumen metagenome in complexed with xylose
Descriptor: B-GLUCOSIDASE, GLYCEROL, SULFATE ION, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural and Functional Characterization of a Ruminal beta-Glycosidase Defines a Novel Subfamily of Glycoside Hydrolase Family 3 with Permuted Domain Topology.
J.Biol.Chem., 291, 2016
9B5P
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BU of 9b5p by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - cluster 1 map and model (ATP/Mg)
Descriptor: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kochanczyk, T, Lima, C.D.
Deposit date:2024-03-22
Release date:2024-06-05
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural basis for transthiolation intermediates in the ubiquitin pathway.
Nature, 633, 2024
5K72
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BU of 5k72 by Molmil
IRAK4 in complex with Compound 21
Descriptor: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
Authors:Ferguson, A.D.
Deposit date:2016-05-25
Release date:2017-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
2ICY
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BU of 2icy by Molmil
Crystal Structure of a Putative UDP-glucose Pyrophosphorylase from Arabidopsis Thaliana with Bound UDP-glucose
Descriptor: DIMETHYL SULFOXIDE, Probable UTP-glucose-1-phosphate uridylyltransferase 2, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ...
Authors:McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-09-13
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure and Dynamics of UDP-Glucose Pyrophosphorylase from Arabidopsis thaliana with Bound UDP-Glucose and UTP.
J.Mol.Biol., 366, 2007
9BV0
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BU of 9bv0 by Molmil
NMR structure of the Z0 CCHC zinc-finger of transcription repressor Bcl11A
Descriptor: B-cell lymphoma/leukemia 11A, ZINC ION
Authors:Alexandrescu, A.T.
Deposit date:2024-05-18
Release date:2024-05-29
Last modified:2025-06-11
Method:SOLUTION NMR
Cite:Solution structure of the Z0 domain from transcription repressor BCL11A sheds light on the sequence properties of protein-binding zinc fingers.
Protein Sci., 34, 2025
9BB1
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BU of 9bb1 by Molmil
Backbone Modification in the GA Module of Protein PAB: Wild-type Sequence
Descriptor: Peptostreptococcal albumin-binding protein
Authors:Lin, Y, Horne, W.S.
Deposit date:2024-04-05
Release date:2024-06-05
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Backbone Modification in a Protein Hydrophobic Core.
Chemistry, 30, 2024
8HTT
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BU of 8htt by Molmil
Cryo-EM structure of human TMEM87A, gluconate-bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-gluconic acid, Transmembrane protein 87A,EGFP, ...
Authors:Han, A, Kim, H.M.
Deposit date:2022-12-21
Release date:2023-12-27
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:GolpHCat (TMEM87A), a unique voltage-dependent cation channel in Golgi apparatus, contributes to Golgi-pH maintenance and hippocampus-dependent memory.
Nat Commun, 15, 2024
9BFL
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BU of 9bfl by Molmil
Solution structure of the scorpion toxin omega-Buthitoxin-Hf1a
Descriptor: Buthitoxin-Hf1a
Authors:Rosengren, K.J, Payne, C.D.
Deposit date:2024-04-18
Release date:2024-06-05
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Novel Scorpion Toxin omega-Buthitoxin-Hf1a Selectively Inhibits Calcium Influx via Ca V 3.3 and Ca V 3.2 and Alleviates Allodynia in a Mouse Model of Acute Postsurgical Pain.
Int J Mol Sci, 25, 2024

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