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3NY1
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BU of 3ny1 by Molmil
Structure of the ubr-box of the UBR1 ubiquitin ligase
Descriptor: E3 ubiquitin-protein ligase UBR1, ZINC ION
Authors:Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
Deposit date:2010-07-14
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
4GQI
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BU of 4gqi by Molmil
Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-{(3R)-3-[2-(acetylamino)ethyl]-2-oxo-2,3-dihydro-1H-indol-5-yl}acetamide, ...
Authors:Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S.
Deposit date:2012-08-23
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Bioorg.Med.Chem.Lett., 22, 2012
5ZNN
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BU of 5znn by Molmil
Crystal structure of ligand-free form of the Vps10 ectodomain of Sortilin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Yabe-Wada, T, Unno, M.
Deposit date:2018-04-10
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Crystal structure of the ligand-free form of the Vps10 ectodomain of dimerized Sortilin at acidic pH
FEBS Lett., 592, 2018
4GX5
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BU of 4gx5 by Molmil
GsuK Channel
Descriptor: CALCIUM ION, POTASSIUM ION, TrkA domain protein, ...
Authors:Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y.
Deposit date:2012-09-03
Release date:2012-12-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel.
elife, 1, 2012
2G0L
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BU of 2g0l by Molmil
Solution Structure of Neocarzinostatin Apo-Protein with bound Flavone
Descriptor: 2-PHENYL-4H-CHROMEN-4-ONE, NEOCARZINOSTATIN
Authors:Muskett, F.W, Stoneman, R.G, Caddick, S, Woolfson, D.N.
Deposit date:2006-02-13
Release date:2006-03-28
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Synthetic Ligands for Apo-Neocarzinostatin
J.Am.Chem.Soc., 128, 2006
3OB7
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BU of 3ob7 by Molmil
Human Thymidylate Synthase R163K with Cys 195 covalently modified by Glutathione
Descriptor: GLUTATHIONE, PHOSPHATE ION, Thymidylate synthase
Authors:Gibson, L.M, Celeste, L.R, Lovelace, L.L, Lebioda, L.
Deposit date:2010-08-06
Release date:2010-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding.
Acta Crystallogr.,Sect.D, 67, 2011
3MNE
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BU of 3mne by Molmil
Crystal structure of the agonist form of mouse glucocorticoid receptor stabilized by F608S mutation at 1.96A
Descriptor: DEXAMETHASONE, GLYCEROL, Glucocorticoid receptor, ...
Authors:Schoch, G.A, Seitz, T, Benz, J, Banner, D, Stihle, M, D'Arcy, B, Thoma, R, Sterner, R, Hennig, M, Ruf, A.
Deposit date:2010-04-21
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Enhancing the stability and solubility of the glucocorticoid receptor ligand-binding domain by high-throughput library screening.
J.Mol.Biol., 403, 2010
5OH1
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BU of 5oh1 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Aminoglutethimide
Descriptor: (3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione, Cereblon isoform 4, S-Thalidomide, ...
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5OH9
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BU of 5oh9 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thiazolidine-2,4-dione
Descriptor: 1,3-thiazole-2,4-dione, Cereblon isoform 4, ZINC ION
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5OH3
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BU of 5oh3 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Ethosuximide
Descriptor: (3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione, Cereblon isoform 4, ZINC ION
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5OHA
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BU of 5oha by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with 2-Thiohydantoin
Descriptor: 2-sulfanylideneimidazol-4-one, Cereblon isoform 4, ZINC ION
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5OH7
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BU of 5oh7 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Imidazolidine-2,4-dione (Hydantoin)
Descriptor: Cereblon isoform 4, ZINC ION, imidazolidine-2,4-dione
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
4BDN
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BU of 4bdn by Molmil
Crystal structure of the GluK2 K531A-T779G LBD dimer in complex with glutamate
Descriptor: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ...
Authors:Nayeem, N, Mayans, O, Green, T.
Deposit date:2012-10-05
Release date:2013-04-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements.
Open Biol., 3, 2013
4Z0I
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BU of 4z0i by Molmil
Crystal structure of a tetramer of GluA2 ligand binding domains bound with glutamate at 1.45 Angstrom resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ...
Authors:Baranovic, J, Chebli, M, Salazar, H, Carbone, A.L, Ghisi, V, Faelber, K, Lau, A.Y, Daumke, O, Plested, A.J.R.
Deposit date:2015-03-26
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the tetrameric wt GluA2 ligand-binding domain bound to glutamate at 1.45 Angstroms resolution
To Be Published
4BDR
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BU of 4bdr by Molmil
Crystal structure of the GluK2 R775A LBD dimer in complex with kainate
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ...
Authors:Nayeem, N, Mayans, O, Green, T.
Deposit date:2012-10-05
Release date:2013-04-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements.
Open Biol., 3, 2013
5E10
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BU of 5e10 by Molmil
Crystal Structure of PASTA Domains 1 and 2 of Mycobacterium tuberculosis Protein Kinase B
Descriptor: Serine/threonine-protein kinase PknB
Authors:Prigozhin, D.M, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-09-29
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural and Genetic Analyses of the Mycobacterium tuberculosis Protein Kinase B Sensor Domain Identify a Potential Ligand-binding Site.
J.Biol.Chem., 291, 2016
4BDQ
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BU of 4bdq by Molmil
Crystal structure of the GluK2 R775A LBD dimer in complex with glutamate
Descriptor: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, GLUTAMIC ACID, ...
Authors:Nayeem, N, Mayans, O, Green, T.
Deposit date:2012-10-05
Release date:2013-04-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements.
Open Biol., 3, 2013
4GR9
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BU of 4gr9 by Molmil
Synthesis of novel MT3 receptor ligands via unusual Knoevenagel condensation
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N-[(3R)-3-(cyanomethyl)-1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl]acetamide, ...
Authors:Volkova, M.S, Jensen, K.C, Lozinskaya, N.A, Sosonyuk, S.E, Proskurnina, M.V, Mesecar, A.D, Zefirov, N.S.
Deposit date:2012-08-24
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Bioorg.Med.Chem.Lett., 22, 2012
4GVL
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BU of 4gvl by Molmil
Crystal Structure of the GsuK RCK domain
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, TrkA domain protein, ...
Authors:Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y.
Deposit date:2012-08-30
Release date:2012-12-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel.
elife, 1, 2012
6I2M
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BU of 6i2m by Molmil
Crystal structure of vaccinia virus protein A55 BTB-Back domain in complex with human Cullin-3 N-terminus
Descriptor: Cullin-3, Kelch repeat and BTB domain-containing protein A55
Authors:Gao, G, Graham, S.C.
Deposit date:2018-11-01
Release date:2019-01-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of cullin-3 (Cul3) ubiquitin ligase subversion by vaccinia virus protein A55.
J.Biol.Chem., 294, 2019
6OVP
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BU of 6ovp by Molmil
Sterol Carrier Protein 2 from Yarrowia Lipolytica (apo form)
Descriptor: Fatty acid-binding protein, PHOSPHATE ION
Authors:Gianotti, A.R, Klinke, S, Ermacora, M.R.
Deposit date:2019-05-08
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:The structure of unliganded sterol carrier protein 2 from Yarrowia lipolytica unveils a mechanism for binding site occlusion.
J.Struct.Biol., 213, 2020
5XDX
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BU of 5xdx by Molmil
Bovine heart cytochrome c oxidase in the reduced state with pH 7.3 at 1.99 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:Luo, F.J, Shimada, A, Hagimoto, N, Shimada, S, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T.
Deposit date:2017-03-30
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of bovine cytochrome c oxidase in the ligand-free reduced state at neutral pH.
Acta Crystallogr F Struct Biol Commun, 74, 2018
3NY2
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BU of 3ny2 by Molmil
Structure of the ubr-box of UBR2 ubiquitin ligase
Descriptor: E3 ubiquitin-protein ligase UBR2, ZINC ION
Authors:Matta-Camacho, E, Kozlov, G, Li, F, Gehring, K.
Deposit date:2010-07-14
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis of substrate recognition and specificity in the N-end rule pathway.
Nat.Struct.Mol.Biol., 17, 2010
7VWA
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BU of 7vwa by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 with Z-9-hexadecenal
Descriptor: (Z)-hexadec-9-enal, PBP1
Authors:Zheng, J, Chen, Z.
Deposit date:2021-11-10
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
7CNG
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BU of 7cng by Molmil
Structure of CDK5R1 bound FEM1B
Descriptor: Protein fem-1 homolog B,Peptide from Cyclin-dependent kinase 5 activator 1, SULFATE ION
Authors:Chen, X, Liao, S, Xu, C.
Deposit date:2020-07-31
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021

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