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8W8T
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BU of 8w8t by Molmil
Crystal structure of human CLEC12A CRD
分子名称: C-type lectin domain family 12 member A, SULFATE ION
著者Mori, S, Nagae, M, Yamasaki, S.
登録日2023-09-04
公開日2024-03-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the complex of CLEC12A and an antibody that interferes with binding of diverse ligands.
Int.Immunol., 36, 2024
3M0Q
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BU of 3m0q by Molmil
Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Crystal obtained in ammonium sulphate at pH 5.
分子名称: SULFATE ION, Spectrin alpha chain, brain
著者Camara-Artigas, A, Gavira, J.A.
登録日2010-03-03
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding the polymorphic behaviour of a mutant of the alpha-spectrin SH3 domain by means of two 1.1 A structures
Acta Crystallogr.,Sect.D, 2011
4Y5A
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BU of 4y5a by Molmil
Endothiapepsin in complex with fragment 206
分子名称: 1,2-ETHANEDIOL, 1-[5-(trifluoromethyl)furan-2-yl]methanamine, ACETATE ION, ...
著者Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
To Be Published
6QEN
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BU of 6qen by Molmil
Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC240
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylamino]-2-methyl-1-oxidanylidene-propane-2-sulfonic acid, Chymotrypsin-like elastase family member 1, ...
著者Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M.
登録日2019-01-08
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.195 Å)
主引用文献3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
4Y5L
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BU of 4y5l by Molmil
Endothiapepsin in its apo form
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
6QE1
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BU of 6qe1 by Molmil
P38 alpha complex with AR117046
分子名称: 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{R})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
著者Brown, D.G, Hurley, C, Irving, S.L.
登録日2019-01-03
公開日2020-01-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献P38 alpha complex with AR117045 and AR117046
To Be Published
6QFE
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BU of 6qfe by Molmil
Crystal Structure of Human Kallikrein 5 in complex with GSK144
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, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, ...
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
3MDF
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BU of 3mdf by Molmil
Crystal structure of the RRM domain of Cyclophilin 33
分子名称: Peptidyl-prolyl cis-trans isomerase E
著者Hom, R.A, Chang, P.Y, Roy, S, Mussleman, C.A, Glass, K.C, Seleznevia, A.I, Gozani, O, Ismagilov, R.F, Cleary, M.L, Kutateladze, T.G.
登録日2010-03-30
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular mechanism of MLL PHD3 and RNA recognition by the Cyp33 RRM domain.
J.Mol.Biol., 400, 2010
6QMR
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BU of 6qmr by Molmil
Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid
分子名称: 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D
著者Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M.
登録日2019-02-08
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway.
J.Med.Chem., 62, 2019
3MDM
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BU of 3mdm by Molmil
Thioperamide complex of Cytochrome P450 46A1
分子名称: Cholesterol 24-hydroxylase, N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide, PROTOPORPHYRIN IX CONTAINING FE
著者Mast, N, Charvet, C, Pikuleva, I, Stout, C.D.
登録日2010-03-30
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
6QQ3
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BU of 6qq3 by Molmil
The room temperature structure of lysozyme via the acoustic levitation of a droplet
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Axford, D.N, Docker, P, Dye, E, Morris, R.
登録日2019-02-17
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Non-Contact Universal Sample Presentation for Room Temperature Macromolecular Crystallography Using Acoustic Levitation.
Sci Rep, 9, 2019
6QQE
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BU of 6qqe by Molmil
Room temperature structure of Hen Egg White Lysozyme recorded after an accumulated dose of 20 kGy
分子名称: CHLORIDE ION, Lysozyme C
著者Gotthard, G, Aumonier, S, Royant, A.
登録日2019-02-18
公開日2019-06-19
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019
4Y83
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BU of 4y83 by Molmil
Crystal structure of COT kinase domain in complex with 5-(2-amino-5-(quinolin-3-yl)pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-thione
分子名称: 5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione, Mitogen-activated protein kinase kinase kinase 8
著者Gutmann, S, Hinniger, A.
登録日2015-02-16
公開日2015-05-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
3MHW
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BU of 3mhw by Molmil
The complex crystal Structure of Urokianse and 2-Aminobenzothiazole
分子名称: 1,3-benzothiazol-2-amine, SULFATE ION, Urokinase-type plasminogen activator
著者Jiang, L.-G, Yuan, C, Chen, L.-Q, Huang, M.-D.
登録日2010-04-09
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with Urokinase-type Plasminogen Activator
CHIN.J.STRUCT.CHEM., 28, 2009
6QPE
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BU of 6qpe by Molmil
Engineered beta-lactoglobulin: variant L58F
分子名称: ACETATE ION, Beta-lactoglobulin
著者Loch, J.I, Kaczor, K, Leiwnski, K.
登録日2019-02-13
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
4YCE
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BU of 4yce by Molmil
Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human cellular retinoic acid binding proteinii with retinal at 1.95 angstrom- visible light irradiated crystal for 1 hour - 2nd cycle
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Nosrati, M, Geiger, J.H.
登録日2015-02-19
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
8V2Z
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BU of 8v2z by Molmil
Cryo-EM Structure of Smooth Muscle Gamma Actin (ACTG2) Mutant R257C
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, gamma-enteric smooth muscle, ...
著者Palmer, N.J, Carman, P.J, Ceron, R.H, Dominguez, R.
登録日2023-11-25
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Smooth Muscle Gamma Actin (ACTG2) Filament Mutant R257C
To Be Published
4YCT
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BU of 4yct by Molmil
Endothiapepsin in complex with fragment 216
分子名称: 1,2-ETHANEDIOL, 4-(trifluoromethyl)benzenecarboximidamide, ACETATE ION, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
4YD3
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BU of 4yd3 by Molmil
Endothiapepsin in complex with fragment 224
分子名称: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-20
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.248 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
6QRH
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BU of 6qrh by Molmil
High pressure structure of bovine insulin (100 MPa)
分子名称: Insulin
著者Kurpiewska, K, Milaczewska, A, Lewinski, K.
登録日2019-02-19
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Insulin conformational changes under high pressure in structural studies and molecular dynamics simulations
J.Mol.Struct., 2020
8VM2
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BU of 8vm2 by Molmil
Crystal Structure of NRAS Q61K bound to GTP
分子名称: GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Gebregiworgis, T, Chan, J.Y.L, Kuntz, D.A, Prive, G.G, Marshall, C.B, Ikura, M.
登録日2024-01-12
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of NRAS Q61K with a ligand-induced pocket near switch II.
Eur J Cell Biol, 103, 2024
6QRK
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High pressure structure of bovine insulin (200 MPa)
分子名称: Insulin
著者Kurpiewska, K, Milaczewska, A, Lewinski, K.
登録日2019-02-19
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Insulin conformational changes under high pressure in structural studies and molecular dynamics simulations
J.Mol.Struct., 2020
4YFR
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BU of 4yfr by Molmil
Crystal structure of the R111K:Y134F:T54V:R132Q:P39Y:R59Y mutant of human Cellular Retinoic Acid Binding Protein II with Retinal at 1.95 Angstrom Resolution - UV irradiated crystal for 30 minutes - 1st Cycle
分子名称: Cellular retinoic acid-binding protein 2, RETINAL
著者Nosrati, M, Geiger, J.H.
登録日2015-02-25
公開日2016-03-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution.
J.Am.Chem.Soc., 138, 2016
3MN6
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BU of 3mn6 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
著者Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
登録日2010-04-21
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
6QUV
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Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R
分子名称: (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, GTPase KRas, MAGNESIUM ION, ...
著者Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
登録日2019-02-28
公開日2019-07-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.475 Å)
主引用文献KRAS Binders Hidden in Nature.
Chemistry, 25, 2019

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件を2024-08-07に公開中

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