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1ASQ
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BU of 1asq by Molmil
X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, AZIDE ION, ...
著者Messerschmidt, A, Luecke, H, Huber, R.
登録日1992-11-25
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms.
J.Mol.Biol., 230, 1993
4WX7
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BU of 4wx7 by Molmil
Crystal structure of adenovirus 8 protease with a nitrile inhibitor
分子名称: 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
1ASP
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BU of 1asp by Molmil
X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ...
著者Messerschmidt, A, Luecke, H, Huber, R.
登録日1992-11-25
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms.
J.Mol.Biol., 230, 1993
5P21
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BU of 5p21 by Molmil
REFINED CRYSTAL STRUCTURE OF THE TRIPHOSPHATE CONFORMATION OF H-RAS P21 AT 1.35 ANGSTROMS RESOLUTION: IMPLICATIONS FOR THE MECHANISM OF GTP HYDROLYSIS
分子名称: C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Pai, E.F, Wittinghofer, A, Kabsch, W.
登録日1990-04-30
公開日1992-01-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 A resolution: implications for the mechanism of GTP hydrolysis.
EMBO J., 9, 1990
11BG
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BU of 11bg by Molmil
A POTENTIAL ALLOSTERIC SUBSITE GENERATED BY DOMAIN SWAPPING IN BOVINE SEMINAL RIBONUCLEASE
分子名称: PROTEIN (BOVINE SEMINAL RIBONUCLEASE), SULFATE ION, URIDYLYL-2'-5'-PHOSPHO-GUANOSINE
著者Vitagliano, L, Adinolfi, S, Sica, F, Merlino, A, Zagari, A, Mazzarella, L.
登録日1999-03-11
公開日1999-11-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease.
J.Mol.Biol., 293, 1999
8OS5
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BU of 8os5 by Molmil
Crystal structure of the Factor XII heavy chain reveals an interlocking dimer with a FnII to kringle domain interaction
分子名称: Coagulation factor XII-Mie
著者Li, C, Saleem, M, Kaira, B.G, Brown, A, Wilson, C, Philippou, H, Emsley, J.
登録日2023-04-18
公開日2024-03-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
8P6U
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Human carbonic anhydrase II containing 5-fluorotryptophanes
分子名称: BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
登録日2023-05-30
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
8PHL
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BU of 8phl by Molmil
Human carbonic anhydrase II containing 4-fluorophenylalanine
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
著者Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
登録日2023-06-20
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
1AOZ
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BU of 1aoz by Molmil
REFINED CRYSTAL STRUCTURE OF ASCORBATE OXIDASE AT 1.9 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ...
著者Messerschmidt, A, Ladenstein, R, Huber, R.
登録日1992-01-08
公開日1993-10-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Refined crystal structure of ascorbate oxidase at 1.9 A resolution.
J.Mol.Biol., 224, 1992
1AIF
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BU of 1aif by Molmil
ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB FROM MOUSE
分子名称: ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB (HEAVY CHAIN), ANTI-IDIOTYPIC FAB 409.5.3 (IGG2A) FAB (LIGHT CHAIN)
著者Ban, N, Escobar, C, Hasel, K, Day, J, Greenwood, A, McPherson, A.
登録日1994-11-14
公開日1997-02-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of an anti-idiotypic Fab against feline peritonitis virus-neutralizing antibody and a comparison with the complexed Fab.
FASEB J., 9, 1995
8I2Z
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BU of 8i2z by Molmil
Cryo-EM structure of the zeaxanthin-bound kin4B8
分子名称: RETINAL, Xanthorhodopsin, Zeaxanthin
著者Murakoshi, S, Chazan, A, Shihoya, W, Beja, O, Nureki, O.
登録日2023-01-15
公開日2023-03-29
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2 Å)
主引用文献Phototrophy by antenna-containing rhodopsin pumps in aquatic environments.
Nature, 615, 2023
8OHZ
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BU of 8ohz by Molmil
Yeast 20S proteasome in complex with a photoswitchable cepafungin derivative (transCep1)
分子名称: (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide, CHLORIDE ION, MAGNESIUM ION, ...
著者Morstein, J, Amatuni, A, Schuster, A, Kuttenlochner, W, Ko, T, Groll, M, Adibekian, A, Renata, H, Trauner, D.H.
登録日2023-03-21
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Optical Control of Proteasomal Protein Degradation with a Photoswitchable Lipopeptide.
Angew.Chem.Int.Ed.Engl., 63, 2024
8OI1
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Yeast 20S proteasome in complex with a photoswitchable cepafungin derivative (transCep4)
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Morstein, J, Amatuni, A, Schuster, A, Kuttenlochner, W, Ko, T, Groll, M, Adibekian, A, Renata, H, Trauner, D.H.
登録日2023-03-21
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Optical Control of Proteasomal Protein Degradation with a Photoswitchable Lipopeptide.
Angew.Chem.Int.Ed.Engl., 63, 2024
8OO2
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BU of 8oo2 by Molmil
ChdA complex with amido-chelocardin
分子名称: 2-carboxamido-2-deacetyl-chelocardin, MAGNESIUM ION, Putative transcriptional regulator
著者Koehnke, J, Sikandar, A.
登録日2023-04-04
公開日2023-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Revision of the Absolute Configurations of Chelocardin and Amidochelocardin.
Angew.Chem.Int.Ed.Engl., 62, 2023
2JOK
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BU of 2jok by Molmil
NMR structure of the catalytic domain of guanine nucleotide exchange factor BopE from Burkholderia pseudomallei
分子名称: Putative G-nucleotide exchange factor
著者Wu, H, Upadhyay, A, Williams, C, Galyov, E.E, van den Elsen, J.M.H, Bagby, S.
登録日2007-03-14
公開日2007-09-18
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献The guanine-nucleotide-exchange factor BopE from Burkholderia pseudomallei adopts a compact version of the Salmonella SopE/SopE2 fold and undergoes a closed-to-open conformational change upon interaction with Cdc42
Biochem.J., 411, 2008
2JNP
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BU of 2jnp by Molmil
Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of N-isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)
分子名称: CALCIUM ION, Matrix metalloproteinase-3, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Alcaraz, L.A, Banci, L, Bertini, I, Cantini, F, Donaire, A, Gonnelli, L.
登録日2007-01-30
公開日2007-12-11
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors
J.Biol.Inorg.Chem., 12, 2007
2JQM
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BU of 2jqm by Molmil
Yellow Fever Envelope Protein Domain III NMR Structure (S288-K398)
分子名称: Envelope protein E
著者Volk, D.E, Gandham, S.H, May, F.J, Anderson, A, Barrett, A.D, Gorenstein, D.G.
登録日2007-06-03
公開日2008-06-10
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Structure of yellow fever virus envelope protein domain III.
Virology, 394, 2009
2JC0
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BU of 2jc0 by Molmil
CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB655264
分子名称: (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE
著者Wonacott, A, Skarzynski, T, Singh, O.M.
登録日2006-12-18
公開日2007-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
J.Med.Chem., 50, 2007
2JFT
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BU of 2jft by Molmil
Crystal structure of the PPM Ser-Thr phosphatase MsPP from Mycobacterium smegmatis in complex with sulfate
分子名称: MAGNESIUM ION, MANGANESE (II) ION, SER-THR PHOSPHATASE MSPP, ...
著者Bellinzoni, M, Wehenkel, A, Shepard, W, Alzari, P.M.
登録日2007-02-04
公開日2007-07-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Insights Into the Mechanism of Ppm Ser/Thr Phosphatases from the Atomic Resolution Structures of a Mycobacterial Enzyme
Structure, 15, 2007
2JFR
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Crystal structure of the PPM Ser-Thr phosphatase MsPP from Mycobacterium smegmatis in complex with phosphate at 0.83 A resolution
分子名称: CHLORIDE ION, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Bellinzoni, M, Wehenkel, A, Shepard, W, Alzari, P.M.
登録日2007-02-04
公開日2007-07-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.83 Å)
主引用文献Insights Into the Mechanism of Ppm Ser/Thr Phosphatases from the Atomic Resolution Structures of a Mycobacterial Enzyme
Structure, 15, 2007
2JHN
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BU of 2jhn by Molmil
3-methyladenine dna-glycosylase from Archaeoglobus fulgidus
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-METHYLADENINE DNA-GLYCOSYLASE, GLYCEROL, ...
著者Leiros, I, Nabong, M.P, Grosvik, K, Ringvoll, J, Haugland, G.T, Uldal, L, Reite, K, Olsbu, I.K, Knaevelsrud, I, Moe, E, Andersen, O.A, Birkeland, N.K, Ruoff, P, Klungland, A, Bjelland, S.
登録日2007-02-22
公開日2007-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Enzymatic Excision of N1-Methyladenine and N3-Methylcytosine from DNA
Embo J., 26, 2007
2JJK
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FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE -1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH A DUAL BINDING AMP SITE INHIBITOR
分子名称: FRUCTOSE-1,6-BISPHOSPHATASE 1, N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-chlorobenzenesulfonamide)
著者Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Hebeisen, P.
登録日2008-04-09
公開日2008-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric Fbpase Inhibitors Gain 10(5) Times in Potency When Simultaneously Binding Two Neighboring AMP Sites.
Bioorg.Med.Chem.Lett., 18, 2008
2JC1
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB698223
分子名称: (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE
著者Wonacott, A, Skarzynski, T, Singh, O.M.
登録日2006-12-18
公開日2007-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
J.Med.Chem., 50, 2007
2K8O
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Solution structure of integrin Alpha L
分子名称: Integrin alpha-L
著者Bhunia, A, Bhattacharjya, S, Tan, S.
登録日2008-09-17
公開日2008-12-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR Solution Conformations and Interactions of Integrin {alpha}L{beta}2 Cytoplasmic Tails
J.Biol.Chem., 284, 2009
7RX2
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afTMEM16 in C22 lipid nanodiscs with MSP1E3 scaffold protein in the presnece of Ca2+
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, afTMEM16 lipid scramblase
著者Falzone, M.E, Accardi, A.
登録日2021-08-21
公開日2022-05-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022

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