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2ZPH
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BU of 2zph by Molmil
Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 340min at 293K
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, MAGNESIUM ION, ...
著者Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M.
登録日2008-07-11
公開日2008-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile
J.Biol.Chem., 283, 2008
7VQ0
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BU of 7vq0 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike protein (2-up RBD) bound to neutralizing nanobodies P86
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Maeda, R, Fujita, J, Konishi, Y, Kazuma, Y, Yamazaki, H, Anzai, I, Yamaguchi, K, Kasai, K, Nagata, K, Yamaoka, Y, Miyakawa, K, Ryo, A, Shirakawa, K, Makino, F, Matsuura, Y, Inoue, T, Imura, A, Namba, K, Takaori-Kondo, A.
登録日2021-10-18
公開日2022-07-20
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献A panel of nanobodies recognizing conserved hidden clefts of all SARS-CoV-2 spike variants including Omicron.
Commun Biol, 5, 2022
6G6F
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BU of 6g6f by Molmil
Crystal structure of a parallel eight-helix coiled coil CC-Type2-LF
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-LF
著者Rhys, G.G, Brady, R.L, Woolfson, D.N.
登録日2018-04-01
公開日2018-10-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
1BA4
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BU of 1ba4 by Molmil
THE SOLUTION STRUCTURE OF AMYLOID BETA-PEPTIDE (1-40) IN A WATER-MICELLE ENVIRONMENT. IS THE MEMBRANE-SPANNING DOMAIN WHERE WE THINK IT IS? NMR, 10 STRUCTURES
分子名称: AMYLOID BETA-PEPTIDE
著者Coles, M, Bicknell, W, Watson, A.A, Fairlie, D.P, Craik, D.J.
登録日1998-04-07
公開日1998-06-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of amyloid beta-peptide(1-40) in a water-micelle environment. Is the membrane-spanning domain where we think it is?
Biochemistry, 37, 1998
5QIJ
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BU of 5qij by Molmil
CRYSTAL STRUCTURE OF MURINE 11B- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-(3-(1-(4- CHLOROPHENYL)CYCLOPROPYL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-8- YL)PROPAN-2-OL
分子名称: 2-{3-[1-(4-chlorophenyl)cyclopropyl][1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sheriff, S.
登録日2018-07-03
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of Clinical Candidate BMS-823778 as an Inhibitor of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 9, 2018
6GVR
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BU of 6gvr by Molmil
TAILSPIKE PROTEIN MUTANT E372Q (DELTA N471/S472) OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH PENTASACCHARIDE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Roske, Y, Gohlke, U.
登録日2018-06-21
公開日2018-07-11
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
J. Am. Chem. Soc., 140, 2018
2OF0
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BU of 2of0 by Molmil
X-ray crystal structure of beta secretase complexed with compound 5
分子名称: (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Patel, S.
登録日2007-01-02
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Application of fragment screening by X-ray crystallography to beta-Secretase.
J.Med.Chem., 50, 2007
6G0X
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BU of 6g0x by Molmil
TAILSPIKE PROTEIN OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH PENTASACCHARIDE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Seckler, R, Barbirz, S.
登録日2018-03-20
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
J. Am. Chem. Soc., 140, 2018
6GVP
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BU of 6gvp by Molmil
TAILSPIKE PROTEIN MUTANT E372Q (DELTA N471/S472) OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH HEXASACCHARIDE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Roske, Y, Gohlke, U.
登録日2018-06-21
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
J. Am. Chem. Soc., 140, 2018
6FRZ
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BU of 6frz by Molmil
Phosphotriesterase PTE_A53_7
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methylcyclohexane-1,1,3,3-tetrol, DI(HYDROXYETHYL)ETHER, ...
著者Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
登録日2018-02-18
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Phosphotriesterase PTE_A53_7
To Be Published
6FU7
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BU of 6fu7 by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus in complex with PRATP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ...
著者Alphey, M.S, Ge, Y, Fisher, G, Czekster, C.M, Naismith, J.H, da Silva, R.G.
登録日2018-02-26
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Catalytic and Anticatalytic Snapshots of a Short-Form ATP Phosphoribosyltransferase
Acs Catalysis, 2018
6GBK
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BU of 6gbk by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ...
著者Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
登録日2018-04-15
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
5V44
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BU of 5v44 by Molmil
Crystal structure of the SR1 domain of human sacsin
分子名称: GLYCEROL, Sacsin
著者Menade, M, Kozlov, G, Gehring, K.
登録日2017-03-08
公開日2017-05-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
6GPU
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BU of 6gpu by Molmil
Crystal structure of miniSOG at 1.17A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, COBALT (II) ION, ...
著者Lafaye, C, Signor, L, Aumonier, S, Shu, X, Gotthard, G, Royant, A.
登録日2018-06-07
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Tailing miniSOG: structural bases of the complex photophysics of a flavin-binding singlet oxygen photosensitizing protein.
Sci Rep, 9, 2019
3F9K
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BU of 3f9k by Molmil
Two domain fragment of HIV-2 integrase in complex with LEDGF IBD
分子名称: Integrase, MAGNESIUM ION, PC4 and SFRS1-interacting protein, ...
著者Hare, S, Cherepanov, P.
登録日2008-11-14
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A novel co-crystal structure affords the design of gain-of-function lentiviral integrase mutants in the presence of modified PSIP1/LEDGF/p75
Plos Pathog., 5, 2009
2ZPI
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BU of 2zpi by Molmil
Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 440min at 293K
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, MAGNESIUM ION, ...
著者Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M.
登録日2008-07-11
公開日2008-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile
J.Biol.Chem., 283, 2008
3A8Y
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BU of 3a8y by Molmil
Crystal structure of the complex between the BAG5 BD5 and Hsp70 NBD
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG family molecular chaperone regulator 5, Heat shock 70 kDa protein 1
著者Arakawa, A, Handa, N, Ohsawa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-10-13
公開日2010-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The C-terminal BAG domain of BAG5 induces conformational changes of the Hsp70 nucleotide-binding domain for ADP-ATP exchange
Structure, 18, 2010
3CX4
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BU of 3cx4 by Molmil
Crystal Structure of E.coli GS mutant E377A in complex with ADP and oligosaccharides
分子名称: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Sheng, F, Geiger, J.H.
登録日2008-04-23
公開日2009-04-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Oligosaccharide binding in Escherichia coli glycogen synthase.
Biochemistry, 48, 2009
6I9L
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BU of 6i9l by Molmil
JmjC domain-containing protein 5 (JMJD5) in complex with Mn and pyridine-2,4-dicarboxylic acid (2,4-PDCA)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, JmjC domain-containing protein 5, MANGANESE (II) ION, ...
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2018-11-23
公開日2019-12-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
4XMY
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BU of 4xmy by Molmil
Tailspike protein double mutant D339A/E372A of E. coli bacteriophage HK620 in complex with pentasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-15
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XKV
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BU of 4xkv by Molmil
Tailspike protein mutant D339N of E. coli bacteriophage HK620
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-12
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XL9
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BU of 4xl9 by Molmil
Tailspike protein mutant D339A of E. coli bacteriophage HK620
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-13
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XOR
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BU of 4xor by Molmil
Tailspike protein double mutant D339N/E372Q of E. coli bacteriophage HK620 in complex with pentasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-16
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
3WCB
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BU of 3wcb by Molmil
The complex structure of TcSQS with ligand, BPH1237
分子名称: Farnesyltransferase, putative, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate
著者Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
登録日2013-05-27
公開日2014-06-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
4XLC
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BU of 4xlc by Molmil
Tailspike protein double mutant D339N/E372A of E. coli bacteriophage HK620
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-13
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published

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