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7BLB
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BU of 7blb by Molmil
BAZ2A bromodomain in complex with GSK4027 chemical probe
Descriptor: 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2021-01-18
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chemical probes in the BAZ2A bromodomain
to be published
6H5I
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BU of 6h5i by Molmil
Single Particle Cryo-EM map of human Transferrin receptor 1 - H-Ferritin complex.
Descriptor: Ferritin heavy chain, Transferrin receptor protein 1
Authors:Testi, C, Montemiglio, L.C, Vallone, B, Des Georges, A, Boffi, A, Mancia, F, Baiocco, P, Savino, C.
Deposit date:2018-07-24
Release date:2019-03-27
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of the human ferritin-transferrin receptor 1 complex.
Nat Commun, 10, 2019
6NT4
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BU of 6nt4 by Molmil
Cryo-EM structure of a human-cockroach hybrid Nav channel bound to alpha-scorpion toxin AaH2.
Descriptor: (7E,21R,24S)-27-amino-24-hydroxy-18,24-dioxo-19,23,25-trioxa-24lambda~5~-phosphaheptacos-7-en-21-yl (9Z,12E)-octadeca-9,12-dienoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Clairfeuille, T, Rohou, A, Payandeh, J.
Deposit date:2019-01-28
Release date:2019-02-20
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of alpha-scorpion toxin action on Na v channels.
Science, 363, 2019
9BHS
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BU of 9bhs by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
1B01
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BU of 1b01 by Molmil
TRANSCRIPTIONAL REPRESSOR COPG/DNA COMPLEX
Descriptor: DNA (5'-D(*CP*CP*CP*GP*TP*GP*CP*AP*CP*TP*CP*AP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*GP*CP*AP*TP*TP*GP*AP*GP*TP*GP*CP*AP*CP*GP*G)-3'), TRANSCRIPTIONAL REPRESSOR COPG
Authors:Gomis-Rueth, F.X, Sola, M, Acebo, P, Parraga, A, Guasch, A, Eritja, R, Gonzalez, A, Espinosa, M, del Solar, G, Coll, M.
Deposit date:1999-11-15
Release date:1999-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:The structure of plasmid-encoded transcriptional repressor CopG unliganded and bound to its operator.
EMBO J., 17, 1998
6NXQ
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BU of 6nxq by Molmil
Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C13A mutant
Descriptor: SODIUM ION, Triosephosphate isomerase, cytosolic
Authors:Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G.
Deposit date:2019-02-09
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
6NXW
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BU of 6nxw by Molmil
Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218S mutant
Descriptor: Triosephosphate isomerase, cytosolic
Authors:Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G.
Deposit date:2019-02-10
Release date:2020-02-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
5EUC
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BU of 5euc by Molmil
The role of the C-terminal region on the oligomeric state and enzymatic activity of Trypanosoma cruzi hypoxanthine phosphoribosyl transferase
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase
Authors:Valsecchi, W.M, Cousido-Siah, A, Mitschler, A, Podjarny, A, Delfino, J.M, Santos, J.
Deposit date:2015-11-18
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The role of the C-terminal region on the oligomeric state and enzymatic activity of Trypanosoma cruzi hypoxanthine phosphoribosyl transferase.
Biochim.Biophys.Acta, 1864, 2016
6NXD
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BU of 6nxd by Molmil
TYPE I L-ASPARAGINASE FROM ESCHERICHIA COLI IN COMPLEX WITH CITRATE AT PH 4
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, CHLORIDE ION, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6NXR
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BU of 6nxr by Molmil
Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C13D mutant
Descriptor: GLYCEROL, SODIUM ION, Triosephosphate isomerase, ...
Authors:Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G.
Deposit date:2019-02-09
Release date:2020-02-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
6NXY
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BU of 6nxy by Molmil
Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218D mutant
Descriptor: SODIUM ION, Triosephosphate isomerase, cytosolic
Authors:Jimenez-Sandoval, P, Diaz-Quezada, C, Torres-Larios, A, Brieba, L.G.
Deposit date:2019-02-10
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural basis for the modulation of plant cytosolic triosephosphate isomerase activity by mimicry of redox-based modifications.
Plant J., 99, 2019
9BHR
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BU of 9bhr by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2024-04-21
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
5FIN
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BU of 5fin by Molmil
DARPins as a new tool for experimental phasing in protein crystallography
Descriptor: MERCURY (II) ION, NI3C DARPIN MUTANT5 HG-SITE N1
Authors:Batyuk, A, Honegger, A, Andres, F, Briand, C, Gruetter, M, Plueckthun, A.
Deposit date:2015-09-30
Release date:2016-11-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Darpins as a New Tool for Experimental Phasing in Protein Crystallography
To be Published
6WMW
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BU of 6wmw by Molmil
GFRAL receptor bound with two antibody Fabs (3P10, 25M22)
Descriptor: FAB25M22 heavy chain fragment, FAB25M22 light chain, FAB3P10 heavy chain fragment, ...
Authors:White, A, Lakshminarasimhan, D, Olland, A, Suto, R.K.
Deposit date:2020-04-21
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Antibody-mediated inhibition of GDF15-GFRAL activity reverses cancer cachexia in mice.
Nat Med, 26, 2020
2VNE
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BU of 2vne by Molmil
The X-ray structure of Norcoclaurine synthase from Thalictrum flavum
Descriptor: S-NORCOCLAURINE SYNTHASE
Authors:Ilari, A, Franceschini, S, Boffi, A, Bonamore, A, Pasquo, A.
Deposit date:2008-02-04
Release date:2008-08-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Basis of Enzymatic S-Norcoclaurine Biosynthesis.
J.Biol.Chem., 284, 2009
6HS0
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BU of 6hs0 by Molmil
EthR2 in complex with compound 5 (BDM71847)
Descriptor: 1-[(3-chlorophenyl)methyl]piperazine, Probable transcriptional regulatory protein
Authors:Wintjens, R, Wohlkonig, A, Tanina, A.
Deposit date:2018-09-28
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
7FJH
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BU of 7fjh by Molmil
LecA from Pseudomonas aeruginosa in complex with 4-Phenylbutyryl hydroxamic acid (CAS: 32153-46-1)
Descriptor: CALCIUM ION, N-oxidanyl-4-phenyl-butanamide, PA-I galactophilic lectin
Authors:Shanina, S, Kuhaudomlarp, S, Siebs, E, Fuchsberger, F, Denis, M, da Silva Figueiredo Celstino Gomes, P, Clausen, M.H, Seeberger, P.H, Rognan, D, Titz, A, Imberty, A, Rademacher, C.
Deposit date:2021-08-04
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Targeting undruggable carbohydrate recognition sites through focused fragment library design.
Commun Chem, 5, 2022
4IE2
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BU of 4ie2 by Molmil
Crystal structure of human Arginase-2 complexed with inhibitor 1h
Descriptor: Arginase-2, mitochondrial, BENZAMIDINE, ...
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2082 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
7VKM
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BU of 7vkm by Molmil
Crystal structure of TrkA (G595R) kinase domain
Descriptor: Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7VKO
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BU of 7vko by Molmil
Crystal structure of TrkA kinase with repotrectinib
Descriptor: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7VKN
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BU of 7vkn by Molmil
Crystal structure of TrkA (G595R) kinase with repotrectinib
Descriptor: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7DSU
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BU of 7dsu by Molmil
Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V
Descriptor: 1,2-ETHANEDIOL, Mbo45V, SINEFUNGIN
Authors:Ahmed, I, Chouhan, O.P, Gopinath, A, Morgan, R.D, Bhagat, K, Singh, A, Saikrishnan, K.
Deposit date:2021-01-02
Release date:2022-01-05
Last modified:2023-04-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Mod subunit of the Type III restriction-modification enzyme Mbo45V
To Be Published
7F8R
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BU of 7f8r by Molmil
Crystal structure of human soluble CLIC1 with catalytic cysteine (Cys24) in sulphonic acid form.
Descriptor: Chloride intracellular channel protein 1
Authors:Kumar, A, Das, B.K, Sreeshma, N.S, Arockiasamy, A.
Deposit date:2021-07-02
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Comparative kinetic analysis of ascorbate (Vitamin-C) recycling dehydroascorbate reductases from plants and humans.
Biochem.Biophys.Res.Commun., 591, 2021
7X56
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BU of 7x56 by Molmil
A CBg-ParM filament with ADP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ParM/StbA family protein
Authors:Koh, A, Ali, S, Robinson, R, Narita, A.
Deposit date:2022-03-04
Release date:2023-03-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over
To Be Published
7X54
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BU of 7x54 by Molmil
A CBg-ParM filament with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ParM/StbA family protein
Authors:Koh, A, Ali, S, Robinson, R, Narita, A.
Deposit date:2022-03-04
Release date:2023-03-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A new actin-like filament from Clostridium botulinum exhibits a new system of filament turn over
To Be Published

222415

数据于2024-07-10公开中

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