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1QYT
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BU of 1qyt by Molmil
Solution structure of fragment (25-35) of beta amyloid peptide in SDS micellar solution
Descriptor: 11-mer peptide from Amyloid beta A4 protein
Authors:D'Ursi, A.M, Armenante, M.R, Guerrini, R, Salvadori, S, Sorrentino, G, Picone, D.
Deposit date:2003-09-12
Release date:2004-12-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Pozzi, N, Chen, Z, Di Cera, E.
Deposit date:2016-04-17
Release date:2016-07-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: (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, ...
Authors:D'Arcy, B.M, Swingle, M.R, Honkanen, R.E, Prakash, A.
Deposit date:2017-07-13
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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+
Descriptor: 5'-D(*GP*CP*AP*TP*GP*CP*T)-3', NICKEL (II) ION
Authors:Cardin, J.C, Gan, Y, Thorpe, J.H, Teixeira, S.C.M, Gale, B.C, Moraes, M.I.A.
Deposit date:2003-09-29
Release date:2003-10-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.38 Å)
Cite: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
Descriptor: D/C mosaic neurotoxin, SULFATE ION
Authors:Nuemket, N, Tanaka, Y, Tsukamoto, K, Tsuji, T, Nakamura, K, Kozaki, S, Yao, M, Tanaka, I.
Deposit date:2011-06-02
Release date:2011-12-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: D/C mosaic neurotoxin, SULFATE ION
Authors:Nuemket, N, Tanaka, Y, Tsukamoto, K, Tsuji, T, Nakamura, K, Kozaki, S, Yao, M, Tanaka, I.
Deposit date:2011-06-02
Release date:2011-12-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.99 Å)
Cite: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
Descriptor: D-HISTIDINE, Glucuronoxylanase xynC, TETRAETHYLENE GLYCOL, ...
Authors:St John, F.J, Hurlbert, J.C, Pozharski, E.
Deposit date:2009-11-06
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors: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)
Deposit date:2007-04-27
Release date:2007-05-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cryptosporidium Parvum Cyclophilin Type Peptidyl-Prolyl Cis-Trans Isomerase Cgd2_4120 in Complex with Cyclosporin A.
To be Published
2QQ9
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BU of 2qq9 by Molmil
Crystal Structure of DtxR(D6A C102D) Complexed with Nickel(II)
Descriptor: Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION
Authors:D'Aquino, J.A, Lattimer, J.R, Denninger, A, D'Aquino, K.E, Ringe, D.
Deposit date:2007-07-26
Release date:2007-10-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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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BU of 6mfq by Molmil
Crystal structure of a PMS2 variant
Descriptor: Mismatch repair endonuclease PMS2
Authors:D'Arcy, B.M, Prakash, A.
Deposit date:2018-09-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2007-07-20
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Argadin, CHITINASE B, GLYCEROL
Authors:Houston, D, Shiomi, K, Arai, N, Omura, S, Peter, M.G, Turberg, A, Synstad, B, Eijsink, V.G.H, Aalten, D.M.F.
Deposit date:2002-06-19
Release date:2002-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: D-GLUCOSE 6-PHOSPHOTRANSFERASE, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Aleshin, A.E, Honzatko, R.B.
Deposit date:1998-07-01
Release date:1998-11-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Peterson, M.R, Hall, D.R, Hunter, W.N.
Deposit date:1999-10-14
Release date:2000-10-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Peterson, M.R, Hall, D.R, Hunter, W.N.
Deposit date:1999-10-14
Release date:2000-10-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: C2-1, Zappy, crystal form 1
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-25
Release date:2020-12-02
Method:X-RAY DIFFRACTION (1.101 Å)
Cite: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
Descriptor: C3-1, Sporty, crystal form 1, ...
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-25
Release date:2020-12-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
Descriptor: D-alanyl-D-alanine dipeptidase
Authors: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.
Deposit date:2024-01-20
Release date:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: D-galactonate transport, D-gluconic acid, nonyl beta-D-glucopyranoside
Authors:Leano, J.B, Edwards, R.H, Stroud, R.M.
Deposit date:2018-08-01
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.915 Å)
Cite:Structures suggest a mechanism for energy coupling by a family of organic anion transporters.
Plos Biol., 17, 2019
6UF4
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BU of 6uf4 by Molmil
S2 symmetric peptide design number 4 crystal form 2, Pugsley
Descriptor: S2-4, Pusgley crystal form 2
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-23
Release date:2020-12-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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
Descriptor: Cycloviolacin O2, D-[I11L]cycloviolacin O2, FORMIC ACID
Authors:Huang, Y.H, Du, Q.
Deposit date:2021-07-28
Release date:2021-09-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides.
Molecules, 26, 2021
6UFA
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BU of 6ufa by Molmil
S4 symmetric peptide design number 1, Tim zinc-bound form
Descriptor: S4-1, Tim, Zinc-bound form, ...
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-24
Release date:2020-12-02
Method:X-RAY DIFFRACTION (0.77 Å)
Cite: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
Descriptor: S4-1, Tim apo-form, SULFATE ION
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-24
Release date:2020-12-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UDW
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BU of 6udw by Molmil
S2 symmetric peptide design number 3 crystal form 2, Lurch
Descriptor: S2-3, Lurch crystal form 2
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-19
Release date:2020-09-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF7
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BU of 6uf7 by Molmil
S2 symmetric peptide design number 5, Uncle Fester
Descriptor: S2-5, Uncle Fester
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-23
Release date:2020-12-02
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020

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數據於2024-10-30公開中

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