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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)
分子名称: CALCIUM ION, N-oxidanyl-4-phenyl-butanamide, PA-I galactophilic lectin
著者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.
登録日2021-08-04
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Targeting undruggable carbohydrate recognition sites through focused fragment library design.
Commun Chem, 5, 2022
7ZY8
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BU of 7zy8 by Molmil
Crystal structure of compound 2 bound to CK2alpha
分子名称: 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
登録日2022-05-24
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
3BIW
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BU of 3biw by Molmil
Crystal structure of the Neuroligin-1/Neurexin-1beta synaptic adhesion complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Arac, D, Boucard, A.A, Ozkan, E, Strop, P, Newell, E, Sudhof, T.C, Brunger, A.T.
登録日2007-12-01
公開日2007-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structures of Neuroligin-1 and the Neuroligin-1/Neurexin-1beta Complex Reveal Specific Protein-Protein and Protein-Ca(2+) Interactions.
Neuron, 56, 2007
5N87
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BU of 5n87 by Molmil
TTK kinase domain in complex with NTRC 0066-0
分子名称: 2,5,8,11-TETRAOXATRIDECANE, Dual specificity protein kinase TTK, SODIUM ION, ...
著者Uitdehaag, J, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-23
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
6JL6
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BU of 6jl6 by Molmil
Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with phosphate (Pi).
分子名称: ASPARTIC ACID, Aspartate carbamoyltransferase, PHOSPHATE ION
著者Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S.
登録日2019-03-04
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase revealed an ordered Bi-Bi reaction mechanism
To Be Published
8GLR
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BU of 8glr by Molmil
FrlB - Deglycase for 6-phosphofructose lysine
分子名称: GLYCEROL, SIS domain-containing protein
著者Bell, C.E, Gopalan, V, Kovvali, S.
登録日2023-03-22
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Insights into the catalytic mechanism of a bacterial deglycase essential for utilization of fructose-lysine.
Protein Sci., 32, 2023
7ZY2
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BU of 7zy2 by Molmil
Crystal structure of compound 7 bound to CK2alpha
分子名称: 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
登録日2022-05-23
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZY5
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BU of 7zy5 by Molmil
Crystal structure of compound 2 bound to CK2alpha
分子名称: 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
登録日2022-05-23
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZTR
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BU of 7ztr by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, W232F mutant
分子名称: Carotenoid-binding protein
著者Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
登録日2022-05-11
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter.
Int.J.Biol.Macromol., 223, 2022
2CHL
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BU of 2chl by Molmil
Structure of casein kinase 1 gamma 3
分子名称: 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CASEIN KINASE I ISOFORM GAMMA-3, SULFATE ION
著者Bunkoczi, G, Salah, E, Rellos, P, Das, S, Fedorov, O, Savitsky, P, Gileadi, O, Sundstrom, M, Edwards, A, Arrowsmith, C, Ugochukwu, E, Weigelt, J, von Delft, F, Knapp, S.
登録日2006-03-15
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of Casein Kinase 1 Gamma 3
To be Published
7ZTU
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BU of 7ztu by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, D162L mutant
分子名称: Carotenoid-binding protein
著者Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
登録日2022-05-11
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter.
Int.J.Biol.Macromol., 223, 2022
6G52
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BU of 6g52 by Molmil
CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4
分子名称: Metal transporter CNNM4
著者Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A.
登録日2018-03-28
公開日2019-04-10
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.691 Å)
主引用文献Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
7ZTQ
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BU of 7ztq by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform
分子名称: Carotenoid-binding protein, GLYCEROL
著者Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
登録日2022-05-11
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter.
Int.J.Biol.Macromol., 223, 2022
1GGT
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BU of 1ggt by Molmil
THREE-DIMENSIONAL STRUCTURE OF A TRANSGLUTAMINASE: HUMAN BLOOD COAGULATION FACTOR XIII
分子名称: COAGULATION FACTOR XIII
著者Yee, V.C, Pedersen, L.C, Trong, I.L, Bishop, P.D, Stenkamp, R.E, Teller, D.C.
登録日1994-01-25
公開日1995-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Three-dimensional structure of a transglutaminase: human blood coagulation factor XIII.
Proc.Natl.Acad.Sci.USA, 91, 1994
5NLO
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BU of 5nlo by Molmil
Auxiliary activity 9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Lo Leggio, L.
登録日2017-04-04
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
Nat Commun, 8, 2017
6BUZ
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BU of 6buz by Molmil
Cryo-EM structure of CENP-A nucleosome in complex with kinetochore protein CENP-N
分子名称: DNA (147-MER), Histone H2A, Histone H2B, ...
著者Chittori, S, Hong, J, Kelly, A.E, Bai, Y, Subramaniam, S.
登録日2017-12-11
公開日2017-12-20
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Structural mechanisms of centromeric nucleosome recognition by the kinetochore protein CENP-N.
Science, 359, 2018
5NMR
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BU of 5nmr by Molmil
Monomeric mouse Sortilin extracellular domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Leloup, N.O.L, Loessl, P, Meijer, D.H.M, Heck, A.J.R, Thies-Weesie, D.M.E, Janssen, B.J.C.
登録日2017-04-07
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
8ONI
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BU of 8oni by Molmil
Human insulin in complex with the analytical antibody S1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of analytical antibody S1 Fab, Insulin A chain, ...
著者Johansson, E.
登録日2023-04-03
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Macromolecular structure of insulin and IgE clonality impacts IgE-mediated activation of sensitized basophils
To Be Published
5NPU
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BU of 5npu by Molmil
Inferred ancestral pyruvate decarboxylase
分子名称: ANC27, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L.
登録日2017-04-19
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of an inferred ancestral bacterial pyruvate decarboxylase.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6T9M
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BU of 6t9m by Molmil
Crystal structure of the Chitinase Domain of the Spore Coat Protein CotE from Clostridium difficile
分子名称: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptide in active site, ...
著者Whittingham, J.L, Dodson, E.J, Wilkinson, A.J.
登録日2019-10-28
公開日2020-07-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structures of the GH18 domain of the bifunctional peroxiredoxin-chitinase CotE from Clostridium difficile.
Acta Crystallogr.,Sect.F, 76, 2020
8OO1
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BU of 8oo1 by Molmil
Wide inward-open liganded UraA in complex with a conformation-selective synthetic nanobody
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, PENTAETHYLENE GLYCOL, Sy45, ...
著者Kuhn, B.T, Geertsma, E.R.
登録日2023-04-04
公開日2024-04-10
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Interdomain-linkers control conformational transitions in an SLC23 elevator transporter
to be published
1S83
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BU of 1s83 by Molmil
PORCINE TRYPSIN COMPLEXED WITH 4-AMINO PROPANOL
分子名称: 4-HYDROXYBUTAN-1-AMINIUM, CALCIUM ION, MAGNESIUM ION, ...
著者Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E.
登録日2004-01-30
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols.
Biochemistry, 43, 2004
6FVV
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BU of 6fvv by Molmil
26S proteasome, s3 state
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
著者Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E.
登録日2018-03-05
公開日2018-08-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating.
Cell Rep, 24, 2018
8OMZ
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BU of 8omz by Molmil
Wide inward-open unliganded UraA in complex with a conformation-selective synthetic nanobody
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DECYL-BETA-D-MALTOPYRANOSIDE, PENTAETHYLENE GLYCOL, ...
著者Kuhn, B.T, Geertsma, E.R.
登録日2023-03-31
公開日2024-04-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Interdomain-linkers control conformational transitions in an SLC23 elevator transporter
to be published
6C66
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BU of 6c66 by Molmil
CRISPR RNA-guided surveillance complex, pre-nicking
分子名称: CRISPR-associated helicase, Cas3 family, CRISPR-associated protein, ...
著者Xiao, Y, Luo, M, Liao, M, Ke, A.
登録日2018-01-17
公開日2018-06-27
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structure basis for RNA-guided DNA degradation by Cascade and Cas3.
Science, 361, 2018

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