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6R2O
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BU of 6r2o by Molmil
Hemoglobin structure from serial crystallography with a 3D-printed nozzle.
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Hemoglobin subunit alpha, ...
著者Oberthuer, D, Yefanov, O, Sarrou, I.
登録日2019-03-18
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Ultracompact 3D microfluidics for time-resolved structural biology.
Nat Commun, 11, 2020
5NDZ
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BU of 5ndz by Molmil
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution
分子名称: 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, SODIUM ION
著者Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
登録日2017-03-09
公開日2017-05-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
6R2R
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BU of 6r2r by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in dark) and alphafluorocinnamic acid
分子名称: (2Z)-2-fluoro-3-phenylprop-2-enoic acid, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-18
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
3V9J
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BU of 3v9j by Molmil
Crystal structure of mouse 1-pyrroline-5-carboxylate dehydrogenase complexed with sulfate ion
分子名称: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, GLYCEROL, ...
著者Tanner, J.J, Srivastava, D.
登録日2011-12-27
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献The Three-Dimensional Structural Basis of Type II Hyperprolinemia.
J.Mol.Biol., 420, 2012
6R2T
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BU of 6r2t by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in the radical form) and phenylpropiolic acid
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-18
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
to be published
2I7X
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BU of 2i7x by Molmil
Structure of Yeast CPSF-100 (Ydh1p)
分子名称: Protein CFT2
著者Mandel, C.R, Zhang, H, Gebauer, D, Tong, L.
登録日2006-08-31
公開日2007-01-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Polyadenylation factor CPSF-73 is the pre-mRNA 3'-end-processing endonuclease.
Nature, 444, 2006
5NHT
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BU of 5nht by Molmil
human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
分子名称: Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ...
著者Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D.
登録日2017-03-22
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
6R2J
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BU of 6r2j by Molmil
Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A in complex with cellobiose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C.
登録日2019-03-18
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
6R34
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BU of 6r34 by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and phenyl acetylene (Int3')
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-19
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3L
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BU of 6r3l by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and cinnamic acid following decarboxylation (Int3)
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-20
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R40
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BU of 6r40 by Molmil
Apo structure of R504C mutant of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3)
分子名称: Peptidoglycan D,D-transpeptidase FtsI
著者Bellini, D, Dowson, C.G.
登録日2019-03-21
公開日2020-02-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
2I3Q
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BU of 2i3q by Molmil
Q44V mutant of Homing Endonuclease I-CreI
分子名称: 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*AP*CP*TP*CP*AP*CP*GP*TP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*AP*CP*GP*TP*GP*AP*GP*TP*CP*AP*GP*TP*TP*TP*CP*G)-3', CALCIUM ION, ...
著者Rosen, L, Sussman, D.
登録日2006-08-20
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Homing endonuclease I-CreI derivatives with novel DNA target specificities.
Nucleic Acids Res., 34, 2006
1NXM
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BU of 1nxm by Molmil
The high resolution structures of RmlC from Streptococcus suis
分子名称: dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
著者Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
登録日2003-02-11
公開日2003-06-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
2I5R
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BU of 2i5r by Molmil
Structure of small Toprim domain-containing protein from B. stearothermophilus in complex with Mg2+
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Rezacova, P, Borek, D, Otwinowski, Z, Joachimiak, A, Moy, S.F, Midwest Center for Structural Genomics (MCSG)
登録日2006-08-25
公開日2007-07-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure and putative function of small Toprim domain-containing protein from Bacillus stearothermophilus.
Proteins, 70, 2007
1NYR
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BU of 1nyr by Molmil
Structure of Staphylococcus aureus threonyl-tRNA synthetase complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, THREONINE, ZINC ION, ...
著者Torres-Larios, A, Sankaranarayanan, R, Rees, B, Dock-Bregeon, A.C, Moras, D.
登録日2003-02-13
公開日2003-10-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational movements and cooperativity upon amino acid, ATP and tRNA binding in threonyl-tRNA synthetase
J.Mol.Biol., 331, 2003
5NK0
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BU of 5nk0 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1j
分子名称: 2-[[3-[(3-azanyl-2,2-dimethyl-propyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK4
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BU of 5nk4 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2c
分子名称: 1,2-ETHANEDIOL, 2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NKB
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BU of 5nkb by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4a
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3,5-dimorpholin-4-ylphenyl)amino]-1,3-thiazole-5-carboxamide
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NGE
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BU of 5nge by Molmil
Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671
分子名称: 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one, Ubiquitin carboxyl-terminal hydrolase 7
著者Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D.
登録日2017-03-17
公開日2017-10-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
5NKH
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BU of 5nkh by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3e
分子名称: 2-[[3-(2-aminophenyl)-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
2HY1
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BU of 2hy1 by Molmil
Crystal structure of Rv0805
分子名称: FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Shenoy, A.R, Capuder, M, Draskovic, P, Lamba, D, Visweswariah, S.S, Podobnik, M.
登録日2006-08-04
公開日2006-12-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Structural and Biochemical Analysis of the Rv0805 Cyclic Nucleotide Phosphodiesterase from Mycobacterium tuberculosis.
J.Mol.Biol., 365, 2007
1O03
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BU of 1o03 by Molmil
Structure of Pentavalent Phosphorous Intermediate of an Enzyme Catalyzed Phosphoryl transfer Reaction observed on cocrystallization with Glucose 6-phosphate
分子名称: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, beta-phosphoglucomutase
著者Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
登録日2003-02-20
公開日2003-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Science, 299, 2003
2I9M
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BU of 2i9m by Molmil
Design of a-helix based on conformationally restricted libraries
分子名称: MHA6
著者Pantoja-Uceda, D, Pineda-Lucena, A.
登録日2006-09-06
公開日2007-09-18
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Design of minimal independent protein motifs able to fold autonomously
To be Published
2I9U
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BU of 2i9u by Molmil
Crystal Structure of Guanine Deaminase from C. acetobutylicum with bound guanine in the active site
分子名称: Cytosine/guanine deaminase related protein, FE (III) ION, GLYCEROL, ...
著者Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-09-06
公開日2006-09-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of Guanine Deaminase from C. acetobutylicum with bound guanine in the active site
To be Published
1NM8
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BU of 1nm8 by Molmil
Structure of Human Carnitine Acetyltransferase: Molecular Basis for Fatty Acyl Transfer
分子名称: Carnitine O-acetyltransferase
著者Wu, D, Govindasamy, L, Lian, W, Gu, Y, Kukar, T, Agbandje-McKenna, M, McKenna, R.
登録日2003-01-09
公開日2003-03-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Human Carnitine Acetyltransferase. Molecular Basis for Fatty Acyl Transfer
J.Biol.Chem., 278, 2003

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