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7NI8
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BU of 7ni8 by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ040a
分子名称: (R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Caflisch, A.
登録日2021-02-11
公開日2021-10-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
6LGF
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BU of 6lgf by Molmil
Bombyx mori GH13 sucrose hydrolase mutant D247N complexed with sucrose
分子名称: CALCIUM ION, MAGNESIUM ION, Sucrose hydrolase, ...
著者Miyazaki, T.
登録日2019-12-05
公開日2020-05-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-function analysis of silkworm sucrose hydrolase uncovers the mechanism of substrate specificity in GH13 subfamily 17exo-alpha-glucosidases.
J.Biol.Chem., 295, 2020
1ALZ
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BU of 1alz by Molmil
GRAMICIDIN D FROM BACILLUS BREVIS (ETHANOL SOLVATE)
分子名称: ETHANOL, ILE-GRAMICIDIN C, VAL-GRAMICIDIN A
著者Burkhart, B.M, Pangborn, W.A, Duax, W.L, Langs, D.A.
登録日1997-06-06
公開日1998-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.86 Å)
主引用文献Heterodimer Formation and Crystal Nucleation of Gramicidin D
Biophys.J., 75, 1998
6TWV
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BU of 6twv by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany with human receptor analogue, 6'SLN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Hemagglutinin HA1, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-13
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6OGE
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BU of 6oge by Molmil
Cryo-EM structure of Her2 extracellular domain-Trastuzumab Fab-Pertuzumab Fab complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab FAB HEAVY CHAIN, Pertuzumab FAB LIGHT CHAIN, ...
著者Hao, Y, Yu, X, Bai, Y, Huang, X.
登録日2019-04-02
公開日2019-05-15
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.36 Å)
主引用文献Cryo-EM Structure of HER2-trastuzumab-pertuzumab complex.
Plos One, 14, 2019
3HA0
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BU of 3ha0 by Molmil
Crystal structure of the IgE-Fc3-4 domains
分子名称: Ig epsilon chain C region, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wurzburg, B.A.
登録日2009-04-30
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational flexibility in immunoglobulin E-Fc 3-4 revealed in multiple crystal forms.
J.Mol.Biol., 393, 2009
1A4Q
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BU of 1a4q by Molmil
INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH DIHYDROPYRAN-PHENETHYL-PROPYL-CARBOXAMIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID, CALCIUM ION, ...
著者Cleasby, A, Singh, O, Skarzynski, T, Wonacott, A.J.
登録日1998-01-30
公開日1999-03-02
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B.
J.Med.Chem., 41, 1998
6KVV
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BU of 6kvv by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
著者Li, C, Wan, Q.
登録日2019-09-05
公開日2021-07-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism
To Be Published
6KWH
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BU of 6kwh by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Li, C, Wan, Q.
登録日2019-09-06
公開日2021-07-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.808 Å)
主引用文献X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism
To Be Published
6OOX
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BU of 6oox by Molmil
The crystal structure of 4-isopropylbenzoate bound to T252A mutant of CYP199A4
分子名称: 4-propan-2-ylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Coleman, T, Bruning, J.B, Bell, S.G.
登録日2019-04-23
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.774 Å)
主引用文献Structural investigation of the interplay between the substrate and the acid-alcohol pair of residues in cytochrome P450 enzymes
To Be Published
8SUR
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BU of 8sur by Molmil
TMEM16F bound with Niclosamide
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, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, ...
著者Feng, S, Cheng, Y.
登録日2023-05-13
公開日2023-09-06
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase.
Nat Commun, 14, 2023
6RF4
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BU of 6rf4 by Molmil
Crystal structure of the potassium-pumping S254A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
著者Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
登録日2019-04-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6RF3
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BU of 6rf3 by Molmil
Crystal structure of the potassium-pumping G263F mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, SODIUM ION, ...
著者Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
登録日2019-04-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6TVF
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BU of 6tvf by Molmil
Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue, 6'-SLN
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Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-09
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6TWH
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BU of 6twh by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany
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Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2020-01-13
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
3HG5
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BU of 3hg5 by Molmil
Human alpha-galactosidase catalytic mechanism 4. Product bound
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Alpha-galactosidase A, ...
著者Guce, A.I, Clark, N.E, Garman, S.C.
登録日2009-05-13
公開日2009-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
5KIQ
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BU of 5kiq by Molmil
SrpA with sialyl LewisX
分子名称: ACETATE ION, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Iverson, T.M.
登録日2016-06-16
公開日2017-05-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.638 Å)
主引用文献Structures of the Streptococcus sanguinis SrpA Binding Region with Human Sialoglycans Suggest Features of the Physiological Ligand.
Biochemistry, 2016
3HG4
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BU of 3hg4 by Molmil
Human alpha-galactosidase catalytic mechanism 3. Covalent intermediate
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guce, A.I, Clark, N.E, Garman, S.C.
登録日2009-05-13
公開日2009-11-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
6OBE
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BU of 6obe by Molmil
Ricin A chain bound to VHH antibody V6H8
分子名称: 1,2-ETHANEDIOL, IMIDAZOLE, NICKEL (II) ION, ...
著者Rudolph, M.J.
登録日2019-03-20
公開日2020-04-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.
J.Mol.Biol., 432, 2020
6UAS
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BU of 6uas by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E199A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaripentaose
分子名称: DI(HYDROXYETHYL)ETHER, Glycoside Hydrolase, ZINC ION, ...
著者Vieira, P.S, Cabral, L, Costa, P.A.C.R, Santos, C.R, Murakami, M.T.
登録日2019-09-11
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6ZWZ
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BU of 6zwz by Molmil
Resting state structure of the OMPD-domain of human UMPS variant (K314AcK) at 1.2 Angstroms resolution
分子名称: SULFATE ION, Uridine 5'-monophosphate synthase
著者Tittmann, K, Rindfleisch, S, Krull, M.
登録日2020-07-29
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
3HG2
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BU of 3hg2 by Molmil
Human alpha-galactosidase catalytic mechanism 1. Empty active site
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Alpha-galactosidase A, ...
著者Guce, A.I, Clark, N.E, Garman, S.C.
登録日2009-05-13
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Catalytic mechanism of human alpha-galactosidase.
J.Biol.Chem., 285, 2010
3NKM
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BU of 3nkm by Molmil
Crystal structure of mouse autotaxin
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nishimasu, H, Ishitani, R, Mihara, E, Takagi, J, Aoki, J, Nureki, O.
登録日2010-06-20
公開日2011-01-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Crystal structure of autotaxin and insight into GPCR activation by lipid mediators
Nat.Struct.Mol.Biol., 18, 2011
6ZX1
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BU of 6zx1 by Molmil
OMPD-domain of human UMPS in complex with 6-Aza-UMP at 1.0 Angstroms resolution
分子名称: 6-AZA URIDINE 5'-MONOPHOSPHATE, PROLINE, SULFATE ION, ...
著者Tittmann, K, Rindfleisch, S, Krull, M.
登録日2020-07-29
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6OF1
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BU of 6of1 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with dirithromycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.80A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Khabibullina, N.F, Tereshchenkov, A.G, Komarova, E.S, Syroegin, E.A, Shiriaev, D.I, Paleskava, A, Kartsev, V.G, Bogdanov, A.A, Konevega, A.L, Dontsova, O.A, Sergiev, P.V, Osterman, I.A, Polikanov, Y.S.
登録日2019-03-28
公開日2019-04-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Dirithromycin Bound to the Bacterial Ribosome Suggests New Ways for Rational Improvement of Macrolides.
Antimicrob.Agents Chemother., 63, 2019

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