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9EY8
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BU of 9ey8 by Molmil
Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (s)-amino-L-tyrosine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ng, Y.M, Soler-Lopez, M.
Deposit date:2024-04-09
Release date:2024-05-01
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
9EY7
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BU of 9ey7 by Molmil
Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (R)-2,4-dihydroxyphenylalanine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-L-tyrosine, ...
Authors:Ng, Y.M, Soler-Lopez, M.
Deposit date:2024-04-09
Release date:2024-05-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
9EY6
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BU of 9ey6 by Molmil
Crystal structure of human tyrosinase-related protein 1 (TYRP1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5,6-dihydroxyindole-2-carboxylic acid oxidase, ...
Authors:Ng, Y.M, Soler-Lopez, M.
Deposit date:2024-04-09
Release date:2024-05-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.228 Å)
Cite:Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
9EY5
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BU of 9ey5 by Molmil
Crystal structure of human tyrosinase-related protein 1 (TYRP1) in complex with (S)-2,4-dihydroxyphenylalanine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-L-tyrosine, ...
Authors:Ng, Y.M, Soler-Lopez, M.
Deposit date:2024-04-09
Release date:2024-05-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
9EXI
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BU of 9exi by Molmil
Coxsackievirus A9 bound with compound 14 (CL275)
Descriptor: 4-[(4-methylpiperazin-1-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]aniline, Capsid protein VP1, Capsid protein VP2, ...
Authors:Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C.
Deposit date:2024-04-08
Release date:2024-10-02
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.31 Å)
Cite:SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 67, 2024
9EXG
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BU of 9exg by Molmil
Crystal structure of Yeast Clathrin Heavy Chain N-terminal domain bound to Epsin-2 peptide (LIDL)
Descriptor: Clathrin heavy chain, Epsin-2, GLYCEROL, ...
Authors:Defelipe, L.A, Bento, I, Garcia Alai, M.M.
Deposit date:2024-04-08
Release date:2024-11-13
Method:X-RAY DIFFRACTION (1.744 Å)
Cite:Subtleties in Clathrin Heavy Chain Binding Boxes provide selectivity among Adaptor Proteins of Budding Yeast
To Be Published
9EXF
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BU of 9exf by Molmil
Crystal structure of Yeast Clathrin Heavy Chain N-terminal domain bound to YAP1801 peptide (LIDM)
Descriptor: CHLORIDE ION, Clathrin coat assembly protein AP180A, Clathrin heavy chain, ...
Authors:Defelipe, L.A, Bento, I, Garcia Alai, M.M.
Deposit date:2024-04-08
Release date:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Subtleties in Clathrin Heavy Chain Binding Boxes provide selectivity among Adaptor Proteins of Budding Yeast
To Be Published
9EWT
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BU of 9ewt by Molmil
Optimisation of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations
Descriptor: 1-[2-[3-[(E)-2-(5-cyclopropyl-1,3-oxazol-2-yl)ethenyl]phenyl]-3-pyridin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2024-04-04
Release date:2024-10-16
Method:X-RAY DIFFRACTION (3.019 Å)
Cite:Optimization of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 2024
9EWS
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BU of 9ews by Molmil
Optimisation of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations
Descriptor: 1-[3-pyridin-4-yl-2-[3-(2-pyrimidin-2-ylethynyl)phenyl]-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor, IODIDE ION
Authors:Hargreaves, D.
Deposit date:2024-04-04
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.435 Å)
Cite:Optimization of Potent, Efficacious, Selective and Blood-Brain Barrier Penetrating Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 2024
9EWK
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BU of 9ewk by Molmil
Solvent organization in ultrahigh-resolution protein crystal structure at room temperature
Descriptor: Crambin, ETHANOL
Authors:Chen, J.C.-H, Gilski, M, Chang, C, Borek, D, Rosenbaum, G, Lavens, A, Otwinowski, Z, Kubicki, M, Dauter, Z, Jaskolski, M, Joachimiak, A.
Deposit date:2024-04-04
Release date:2024-09-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (0.7 Å)
Cite:Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature.
Iucrj, 11, 2024
9EVR
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BU of 9evr by Molmil
Crystal structure of the kinetoplastid kinetochore protein KKT23 N-terminal domain from Trypanosoma brucei
Descriptor: N-acetyltransferase domain-containing protein
Authors:Ludzia, P, Ishii, M, Akiyoshi, B.
Deposit date:2024-04-01
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The kinetoplastid kinetochore protein KKT23 acetyltransferase is a structural homolog of GCN5 that acetylates the histone H2A C-terminal tail
Biorxiv, 2024
9EVQ
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BU of 9evq by Molmil
Crystal structure of the kinetoplastid kinetochore protein KKT23 acetyltransferase domain from Trypanosoma brucei
Descriptor: ACETYL COENZYME *A, N-acetyltransferase domain-containing protein
Authors:Ludzia, P, Ishii, M, Akiyoshi, B.
Deposit date:2024-04-01
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The kinetoplastid kinetochore protein KKT23 acetyltransferase is a structural homolog of GCN5 that acetylates the histone H2A C-terminal tail
Biorxiv, 2024
9EVO
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BU of 9evo by Molmil
Plasmodium falciparum apical membrane antigen 3D7
Descriptor: Apical membrane antigen 1
Authors:Bentley, G.A, Saul, F.A, Vulliez-Le Normand, B.
Deposit date:2024-03-31
Release date:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational variability in the D2 loop of Plasmodium Apical Membrane antigen 1.
J Struct Biol X, 10, 2024
9EVM
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BU of 9evm by Molmil
High pH (8.0) nitrite-bound MSOX movie series dataset 30 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [20.7 MGy]
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ...
Authors:Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2024-03-30
Release date:2024-07-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
9EV4
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BU of 9ev4 by Molmil
Pyruvate:quinone oxidoreductase (PQO) from Corynebacterium glutamicum CS176
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Thiamine pyrophosphate-requiring enzymes [acetolactate synthase, pyruvate dehydrogenase (Cytochrome), ...
Authors:Da Silva Lameira, C, Muenssinger, S, Yang, L, Eikmanns, B.J, Bellinzoni, M.
Deposit date:2024-03-28
Release date:2024-08-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.474 Å)
Cite:Corynebacterium glutamicum pyruvate:quinone oxidoreductase: an enigmatic metabolic enzyme with unusual structural features.
Febs J., 291, 2024
9EUY
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BU of 9euy by Molmil
Cryo-EM structure of the full-length Pseudomonas aeruginosa bacteriophytochrome in its Pfr state
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
Authors:Bodizs, S, Westenhoff, S.
Deposit date:2024-03-28
Release date:2024-09-04
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Cryo-EM structures of a bathy phytochrome histidine kinase reveal a unique light-dependent activation mechanism.
Structure, 2024
9EUT
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BU of 9eut by Molmil
Cryo-EM structure of the full-length Pseudomonas aeruginosa bacteriophytochrome in its Pr state
Descriptor: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome
Authors:Bodizs, S, Westenhoff, S.
Deposit date:2024-03-28
Release date:2024-09-04
Last modified:2024-09-11
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Cryo-EM structures of a bathy phytochrome histidine kinase reveal a unique light-dependent activation mechanism.
Structure, 2024
9EUS
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BU of 9eus by Molmil
Mpro from SARS-CoV-2 with R298A mutation
Descriptor: GLYCEROL, Replicase polyprotein 1a
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-28
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
9EUD
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BU of 9eud by Molmil
The FK1 domain of FKBP51 in complex with SAFit-analog 23c
Descriptor: (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Meyners, C, Buffa, V, Hausch, F.
Deposit date:2024-03-27
Release date:2024-06-12
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.022 Å)
Cite:1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
9EU5
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BU of 9eu5 by Molmil
SSX structure of Autotaxin at room temperature
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A, Foos, N, Basu, S.
Deposit date:2024-03-27
Release date:2024-07-31
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:In situ serial crystallography facilitates 96-well plate structural analysis at low symmetry.
Iucrj, 11, 2024
9ETK
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BU of 9etk by Molmil
Crystal structure of Vibrio cholerae RNase AM
Descriptor: GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Lormand, J.D, Sondermann, H.
Deposit date:2024-03-26
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of Vibrio cholerase RNase AM
To Be Published
9EST
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BU of 9est by Molmil
STRUCTURAL STUDY OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH 7-AMINO-3-(2-BROMOETHOXY)-4-CHLOROISOCOUMARIN AS A NONREACTIVATABLE DOUBLY COVALENT ENZYME-INHIBITOR COMPLEX
Descriptor: (2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ...
Authors:Radhakrishnan, R, Powers, J.C, Meyer Jr, E.F.
Deposit date:1991-01-14
Release date:1994-01-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural study of porcine pancreatic elastase complexed with 7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin as a nonreactivatable doubly covalent enzyme-inhibitor complex.
Biochemistry, 30, 1991
9ERV
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BU of 9erv by Molmil
Structure of Salmonella CapRel bound to Bas11 Gp54
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, GP54, ...
Authors:Garcia-Pino, A.
Deposit date:2024-03-25
Release date:2024-11-06
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:A bacterial immunity protein directly senses two disparate phage proteins.
Nature, 2024
9ERO
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BU of 9ero by Molmil
CTE type III tau filament from vacuolar tauopathy
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Scheres, H.W.S, Goedert, M.
Deposit date:2024-03-24
Release date:2024-05-29
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Tau filaments with the chronic traumatic encephalopathy fold in a case of vacuolar tauopathy with VCP mutation D395G.
Acta Neuropathol, 147, 2024
9ERN
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BU of 9ern by Molmil
CTE type II tau filament from vacuolar tauopathy
Descriptor: Microtubule-associated protein tau
Authors:Qi, C, Scheres, H.W.S, Goedert, M.
Deposit date:2024-03-24
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Tau filaments with the chronic traumatic encephalopathy fold in a case of vacuolar tauopathy with VCP mutation D395G.
Acta Neuropathol, 147, 2024

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