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5C1S
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BU of 5c1s by Molmil
Crystal structure of the GDP-bound fast hydrolyzing mutant (V71A/K73Q) of EhRabX3 from Entamoeba histolytica
分子名称: GUANOSINE-5'-DIPHOSPHATE, Small GTPase EhRabX3
著者Srivastava, V.K, Chandra, M, Datta, S.
登録日2015-06-15
公開日2016-04-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure Analysis of Wild Type and Fast Hydrolyzing Mutant of EhRabX3, a Tandem Ras Superfamily GTPase from Entamoeba histolytica.
J.Mol.Biol., 428, 2016
5CN7
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BU of 5cn7 by Molmil
Ultrafast dynamics in myoglobin: 0.2 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CNE
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BU of 5cne by Molmil
Ultrafast dynamics in myoglobin: 10 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5MB5
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BU of 5mb5 by Molmil
Cocktail experiment C: fragments 103 and 171 in complex with Endothiapepsin
分子名称: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-11-07
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Comparison of cocktails versus single soaking experiments
To Be Published
5BVQ
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BU of 5bvq by Molmil
Ligand-unbound pFABP4
分子名称: fatty acid-binding protein
著者Lee, J.H, Lee, C.W, Do, H.
登録日2015-06-05
公開日2015-08-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin
Biochem.Biophys.Res.Commun., 465, 2015
5MHD
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BU of 5mhd by Molmil
Biosynthetic engineered A22S-B3K-B31R human insulin monomer structure in water/acetonitrile solutions.
分子名称: Insulin
著者Bocian, W, Kozerski, L, Bednarek, E, Sitkowski, J.
登録日2016-11-24
公開日2017-08-09
最終更新日2019-05-08
実験手法SOLUTION NMR
主引用文献Structure and pharmaceutical formulation development of a new long-acting recombinant human insulin analog studied by NMR and MS.
J Pharm Biomed Anal, 135, 2017
5MNF
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BU of 5mnf by Molmil
Cationic trypsin in its apo form (deuterated sample at 295 K)
分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5MNM
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BU of 5mnm by Molmil
Cationic trypsin in complex with benzylamine (at 295 K)
分子名称: BENZYLAMINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Cationic trypsin in complex with benzylamine (at 295 K)
to be published
5MNS
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BU of 5mns by Molmil
Structural and functional characterization of OleP in complex with 6DEB in sodium formate
分子名称: 6-DEOXYERYTHRONOLIDE B, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
著者Parisi, G, Savino, C, Montemiglio, L.C, Vallone, B.
登録日2016-12-13
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Substrate-induced conformational change in cytochrome P450 OleP.
FASEB J., 33, 2019
5MOR
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BU of 5mor by Molmil
Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine
分子名称: (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
登録日2016-12-14
公開日2018-02-28
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION
主引用文献Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine
to be published
5C1M
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BU of 5c1m by Molmil
Crystal structure of active mu-opioid receptor bound to the agonist BU72
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ...
著者Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K.
登録日2015-06-15
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
5MJC
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BU of 5mjc by Molmil
metNeuroglobin under oxygen at 50 bar
分子名称: 1,4-DIETHYLENE DIOXIDE, Neuroglobin, OXYGEN MOLECULE, ...
著者Prange, T, Colloc'h, N, Carpentier, P, Vallone, B.
登録日2016-11-30
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
5MJV
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BU of 5mjv by Molmil
Rebuild and re-refined model for Human Parechovirus 1
分子名称: CAPSID SUBUNIT VP0, CAPSID SUBUNIT VP1, CAPSID SUBUNIT VP3, ...
著者Shakeel, S, Dykeman, E.C, White, S.J, Ora, A, Cockburn, J.J.B, Butcher, S.J, Stockley, P.G, Twarock, R.
登録日2016-12-01
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Genomic RNA folding mediates assembly of human parechovirus.
Nat Commun, 8, 2017
5COY
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BU of 5coy by Molmil
Crystal structure of CC chemokine 5 (CCL5)
分子名称: C-C motif chemokine 5, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Liang, W.G, Tang, W.
登録日2015-07-20
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.443 Å)
主引用文献Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
5CP4
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BU of 5cp4 by Molmil
CRYOGENIC STRUCTURE OF P450CAM
分子名称: CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日1998-05-28
公開日1998-09-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect.
Biochemistry, 37, 1998
5M9S
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BU of 5m9s by Molmil
Human angiogenin ALS variant V103I
分子名称: Angiogenin, D(-)-TARTARIC ACID
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-02
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
5MAM
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BU of 5mam by Molmil
Human insulin in complex with serotonin
分子名称: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
著者Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L.
登録日2016-11-03
公開日2017-04-05
最終更新日2017-05-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules.
J. Biol. Chem., 292, 2017
5MB0
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BU of 5mb0 by Molmil
Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin
分子名称: 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-11-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.149 Å)
主引用文献Comparison of cocktail versus single soaking experimets
To Be Published
5CN6
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BU of 5cn6 by Molmil
Ultrafast dynamics in myoglobin: 0.1 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CO9
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BU of 5co9 by Molmil
Crystal structure of human zinc insulin at pH 6.5
分子名称: CHLORIDE ION, Insulin, ZINC ION
著者Lima, L.M.T.R, Palmieri, L.C.
登録日2015-07-20
公開日2015-08-26
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of human zinc insulin at pH 6.5
To Be Published
5MYB
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BU of 5myb by Molmil
Homodimerization of Tie2 Fibronectin-like domains 2 and 3 in space group P21
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, Angiopoietin-1 receptor, ...
著者Leppanen, V.-M, Saharinen, P, Alitalo, K.
登録日2017-01-26
公開日2017-04-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8JMX
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BU of 8jmx by Molmil
The crystal structure of human aurka kinase domain in complex with AURKA-A2
分子名称: 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde, Aurora kinase A
著者Zhu, C.J, Zhang, Z.M.
登録日2023-06-05
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.95020175 Å)
主引用文献Multitarget inhibitors/probes that target LRRK2 and AURORA A kinases noncovalently and covalently.
Chem.Commun.(Camb.), 59, 2023
5MS3
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BU of 5ms3 by Molmil
Kallikrein-related peptidase 8 calcium complex
分子名称: CALCIUM ION, Kallikrein-8
著者Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P.
登録日2016-12-30
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specificity profiles and antagonistic Ca2+ and Zn2+ regulation of human KLK8/neuropsin activity by modules identified in crystal structures
To Be Published
5MTN
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BU of 5mtn by Molmil
Monobody Mb(Lck_1) bound to Lck-Sh2
分子名称: Monobody Mb(Lck_1), SULFATE ION, Tyrosine-protein kinase Lck
著者Pojer, F, Kukenshoner, T, Koide, S, Hantschel, O.
登録日2017-01-10
公開日2017-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies.
J. Mol. Biol., 429, 2017
8JNC
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Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin
分子名称: (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ...
著者Zhang, Y.L, Zhang, L.P, Zhang, C.S.
登録日2023-06-06
公開日2023-11-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023

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件を2024-08-14に公開中

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