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1QYT
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Solution structure of fragment (25-35) of beta amyloid peptide in SDS micellar solution
分子名称: 11-mer peptide from Amyloid beta A4 protein
著者D'Ursi, A.M, Armenante, M.R, Guerrini, R, Salvadori, S, Sorrentino, G, Picone, D.
登録日2003-09-12
公開日2004-12-14
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of amyloid beta-peptide (25-35) in different media
J.Med.Chem., 47, 2004
5JDU
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BU of 5jdu by Molmil
Crystal structure for human thrombin mutant D189A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Pozzi, N, Chen, Z, Di Cera, E.
登録日2016-04-17
公開日2016-07-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.
Biochemistry, 55, 2016
5WG8
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BU of 5wg8 by Molmil
Structure of PP5C with LB-100; 7-oxabicyclo[2.2.1]heptane-2,3-dicarbonyl moiety modeled in the density
分子名称: (1S,2R,3S,4R)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
著者D'Arcy, B.M, Swingle, M.R, Honkanen, R.E, Prakash, A.
登録日2017-07-13
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Antitumor Drug LB-100 Is a Catalytic Inhibitor of Protein Phosphatase 2A (PPP2CA) and 5 (PPP5C) Coordinating with the Active-Site Catalytic Metals in PPP5C.
Mol. Cancer Ther., 18, 2019
1R2O
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BU of 1r2o by Molmil
d(GCATGCT) + Ni2+
分子名称: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', NICKEL (II) ION
著者Cardin, J.C, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A.
登録日2003-09-29
公開日2003-10-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Metal Ion Distribution and Stabilization of the DNA Quadruplex Structure Formed by d(GCATGCT)
To be published
3AZV
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BU of 3azv by Molmil
Crystal structure of the receptor binding domain
分子名称: D/C mosaic neurotoxin, SULFATE ION
著者Nuemket, N, Tanaka, Y, Tsukamoto, K, Tsuji, T, Nakamura, K, Kozaki, S, Yao, M, Tanaka, I.
登録日2011-06-02
公開日2011-12-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and mutational analyses of the receptor binding domain of botulinum D/C mosaic neurotoxin: insight into the ganglioside binding mechanism
Biochem.Biophys.Res.Commun., 411, 2011
3AZW
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BU of 3azw by Molmil
Crystal structure of the receptor binding domain
分子名称: D/C mosaic neurotoxin, SULFATE ION
著者Nuemket, N, Tanaka, Y, Tsukamoto, K, Tsuji, T, Nakamura, K, Kozaki, S, Yao, M, Tanaka, I.
登録日2011-06-02
公開日2011-12-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural and mutational analyses of the receptor binding domain of botulinum D/C mosaic neurotoxin: insight into the ganglioside binding mechanism
Biochem.Biophys.Res.Commun., 411, 2011
3KL3
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BU of 3kl3 by Molmil
Crystal structure of Ligand bound XynC
分子名称: D-HISTIDINE, Glucuronoxylanase xynC, TETRAETHYLENE GLYCOL, ...
著者St John, F.J, Hurlbert, J.C, Pozharski, E.
登録日2009-11-06
公開日2010-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase.
J.Mol.Biol., 407, 2011
2POY
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BU of 2poy by Molmil
Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_4120 in complex with cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
著者Wernimont, A.K, Lew, J, Hills, T, Kozieradzki, I, Lin, Y.H, Hassanali, A, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC)
登録日2007-04-27
公開日2007-05-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cryptosporidium Parvum Cyclophilin Type Peptidyl-Prolyl Cis-Trans Isomerase Cgd2_4120 in Complex with Cyclosporin A.
To be Published
2QQ9
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Crystal Structure of DtxR(D6A C102D) Complexed with Nickel(II)
分子名称: Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION
著者D'Aquino, J.A, Lattimer, J.R, Denninger, A, D'Aquino, K.E, Ringe, D.
登録日2007-07-26
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Role of the N-Terminal Helix in the Metal Ion-Induced Activation of the Diphtheria Toxin Repressor DtxR.
Biochemistry, 46, 2007
6MFQ
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Crystal structure of a PMS2 variant
分子名称: Mismatch repair endonuclease PMS2
著者D'Arcy, B.M, Prakash, A.
登録日2018-09-11
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biochemical and structural characterization of two variants of uncertain significance in the PMS2 gene.
Hum. Mutat., 40, 2019
2QO8
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BU of 2qo8 by Molmil
Crystal structure of the complex of hcaii with an indane-sulfonamide inhibitor
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者D'Ambrosio, K, De Simone, G.
登録日2007-07-20
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic Anhydrase Inhibitors: Binding of Indanesulfonamides to the Human Isoform II.
Chemmedchem, 3, 2007
1H0G
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BU of 1h0g by Molmil
Complex of a chitinase with the natural product cyclopentapeptide argadin from Clonostachys
分子名称: Argadin, CHITINASE B, GLYCEROL
著者Houston, D, Shiomi, K, Arai, N, Omura, S, Peter, M.G, Turberg, A, Synstad, B, Eijsink, V.G.H, Aalten, D.M.F.
登録日2002-06-19
公開日2002-06-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High Resolution Inhibited Complexes of a Chitinase with Natural Product Cyclopentapeptides - Peptide Mimicry of a Carbohydrate Substrate
Proc.Natl.Acad.Sci.USA, 99, 2002
1HKC
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BU of 1hkc by Molmil
RECOMBINANT HUMAN HEXOKINASE TYPE I COMPLEXED WITH GLUCOSE AND PHOSPHATE
分子名称: D-GLUCOSE 6-PHOSPHOTRANSFERASE, PHOSPHATE ION, POTASSIUM ION, ...
著者Aleshin, A.E, Honzatko, R.B.
登録日1998-07-01
公開日1998-11-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Regulation of hexokinase I: crystal structure of recombinant human brain hexokinase complexed with glucose and phosphate.
J.Mol.Biol., 282, 1998
1QNH
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BU of 1qnh by Molmil
Plasmodium falciparum Cyclophilin (double mutant) complexed with Cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
著者Peterson, M.R, Hall, D.R, Hunter, W.N.
登録日1999-10-14
公開日2000-10-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Three-Dimensional Structure of a Plasmodium Falciparum Cyclophilin in Complex with the Potent Anti-Malarial Cyclosporin A
J.Mol.Biol., 298, 2000
1QNG
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BU of 1qng by Molmil
Plasmodium falciparum Cyclophilin complexed with Cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
著者Peterson, M.R, Hall, D.R, Hunter, W.N.
登録日1999-10-14
公開日2000-10-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Three-Dimensional Structure of a Plasmodium Falciparum Cyclophilin in Complex with the Potent Anti-Malarial Cyclosporin A
J.Mol.Biol., 298, 2000
6UFU
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BU of 6ufu by Molmil
C2 symmetric peptide design number 1, Zappy, crystal form 1
分子名称: C2-1, Zappy, crystal form 1
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-25
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.101 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UG3
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BU of 6ug3 by Molmil
C3 symmetric peptide design number 1, Sporty, crystal form 1
分子名称: C3-1, Sporty, crystal form 1, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-25
公開日2020-12-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
8XZ2
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BU of 8xz2 by Molmil
The structural model of a homodimeric D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria
分子名称: D-alanyl-D-alanine dipeptidase
著者Konuma, T, Takai, T, Tsuchiya, C, Nishida, M, Hashiba, M, Yamada, Y, Shirai, H, Motoda, Y, Nagadoi, A, Chikaishi, E, Akagi, K, Akashi, S, Yamazaki, T, Akutsu, H, Oe, A, Ikegami, T.
登録日2024-01-20
公開日2024-05-22
実験手法SOLUTION NMR
主引用文献Analysis of the homodimeric structure of a D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria.
Protein Sci., 33, 2024
6E9N
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BU of 6e9n by Molmil
E. coli D-galactonate:proton symporter in the inward open form
分子名称: D-galactonate transport, D-gluconic acid, nonyl beta-D-glucopyranoside
著者Leano, J.B, Edwards, R.H, Stroud, R.M.
登録日2018-08-01
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.915 Å)
主引用文献Structures suggest a mechanism for energy coupling by a family of organic anion transporters.
Plos Biol., 17, 2019
6UF4
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S2 symmetric peptide design number 4 crystal form 2, Pugsley
分子名称: S2-4, Pusgley crystal form 2
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-23
公開日2020-12-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
7RMQ
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BU of 7rmq by Molmil
Crystal structure of cycloviolacin O2
分子名称: Cycloviolacin O2, D-[I11L]cycloviolacin O2, FORMIC ACID
著者Huang, Y.H, Du, Q.
登録日2021-07-28
公開日2021-09-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides.
Molecules, 26, 2021
6UFA
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S4 symmetric peptide design number 1, Tim zinc-bound form
分子名称: S4-1, Tim, Zinc-bound form, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-24
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.77 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF9
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BU of 6uf9 by Molmil
S4 symmetric peptide design number 1, Tim apo form
分子名称: S4-1, Tim apo-form, SULFATE ION
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-24
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UDW
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S2 symmetric peptide design number 3 crystal form 2, Lurch
分子名称: S2-3, Lurch crystal form 2
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-19
公開日2020-09-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF7
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S2 symmetric peptide design number 5, Uncle Fester
分子名称: S2-5, Uncle Fester
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020

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