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8QLJ
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BU of 8qlj by Molmil
Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with an unknown peptide
Descriptor: ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, Oligopeptide-binding protein AliB
Authors:Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.
Deposit date:2023-09-20
Release date:2024-05-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
8Q4A
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BU of 8q4a by Molmil
Outward-facing, open1 proteoliposome complex I at 2.6 A. Initially purified in LMNG.
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Hirst, J.
Deposit date:2023-08-05
Release date:2024-06-05
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
3NLO
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BU of 3nlo by Molmil
Structure of neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-{{(3'S,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
1YJI
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BU of 1yji by Molmil
RDC-refined Solution NMR structure of reduced putidaredoxin
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Jain, N.U, Tjioe, E, Savidor, A, Boulie, J.
Deposit date:2005-01-14
Release date:2005-06-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005
1YJJ
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BU of 1yjj by Molmil
RDC-refined Solution NMR structure of oxidized putidaredoxin
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Jain, N.U, Tjioe, E, Savidor, A, Boulie, J.
Deposit date:2005-01-14
Release date:2005-06-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005
1YK1
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BU of 1yk1 by Molmil
structure of natriuretic peptide receptor-C complexed with brain natriuretic peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Atrial natriuretic peptide clearance receptor, ...
Authors:He, X, Garcia, K.C.
Deposit date:2005-01-16
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural determinants of natriuretic peptide receptor specificity and degeneracy.
J.Mol.Biol., 361, 2006
3NQS
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BU of 3nqs by Molmil
Crystal Structure of Inducible Nitric Oxide Synthase with N-Nitrosated-pterin
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, ...
Authors:Rosenfeld, R.J, Getzoff, E.D, Tainer, J.A.
Deposit date:2010-06-29
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nitric-oxide synthase forms N-NO-pterin and S-NO-cys: implications for activity, allostery, and regulation.
J.Biol.Chem., 285, 2010
2VNF
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BU of 2vnf by Molmil
MOLECULAR BASIS OF HISTONE H3K4ME3 RECOGNITION BY ING4
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, HISTONE H3, ...
Authors:Palacios, A, Munoz, I.G, Pantoja-Uceda, D, Marcaida, M.J, Torres, D, Martin-Garcia, J.M, Luque, I, Montoya, G, Blanco, F.J.
Deposit date:2008-02-04
Release date:2008-04-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Molecular Basis of Histone H3K4Me3 Recognition by Ing4
J.Biol.Chem., 283, 2008
2VCE
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BU of 2vce by Molmil
Characterization and engineering of the bifunctional N- and O- glucosyltransferase involved in xenobiotic metabolism in plants
Descriptor: 1,2-ETHANEDIOL, 2,4,5-trichlorophenol, HYDROQUINONE GLUCOSYLTRANSFERASE, ...
Authors:Brazier-Hicks, M, Offen, W.A, Gershater, M.C, Revett, T.J, Lim, E.K, Bowles, D.J, Davies, G.J, Edwards, R.
Deposit date:2007-09-20
Release date:2007-10-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization and Engineering of the Bifunctional N- and O-Glucosyltransferase Involved in Xenobiotic Metabolism in Plants.
Proc.Natl.Acad.Sci.USA, 104, 2007
1YNX
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BU of 1ynx by Molmil
Solution structure of DNA binding domain A (DBD-A) of S.cerevisiae Replication Protein A (RPA)
Descriptor: Replication factor-A protein 1
Authors:Park, C.J, Lee, J.H, Choi, B.S.
Deposit date:2005-01-26
Release date:2006-01-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the DNA-binding domain of RPA from Saccharomyces cerevisiae and its interaction with single-stranded DNA and SV40 T antigen
Nucleic Acids Res., 33, 2005
8PVD
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BU of 8pvd by Molmil
Structure of catalase determined by cryoEM at 100 keV
Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J.
Deposit date:2023-07-17
Release date:2023-11-29
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure determination by cryoEM at 100 keV.
Proc.Natl.Acad.Sci.USA, 120, 2023
2Y7Z
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BU of 2y7z by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs
Descriptor: 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ...
Authors:Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S.
Deposit date:2011-02-02
Release date:2011-03-16
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
2VCP
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BU of 2vcp by Molmil
Crystal structure of N-Wasp VC domain in complex with skeletal actin
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Gaucher, J.F, Didry, D, Carlier, M.F.
Deposit date:2007-09-26
Release date:2008-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Interactions of isolated C-terminal fragments of neural Wiskott-Aldrich syndrome protein (N-WASP) with actin and Arp2/3 complex.
J. Biol. Chem., 287, 2012
8Q2W
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BU of 8q2w by Molmil
Crystal structure of YTHDC1 in complex with Compound 8 (CS_01)
Descriptor: 2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2Q
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BU of 8q2q by Molmil
Crystal structure of YTHDC1 in complex with Compound 2b (YL_32)
Descriptor: 2-chloranyl-~{N},9-dimethyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Li, Y, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q32
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BU of 8q32 by Molmil
Crystal structure of YTHDC1 in complex with Compound 13 (ZA_364)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
2VM9
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BU of 2vm9 by Molmil
Native structure of the recombinant discoidin II of Dictyostelium discoideum at 1.75 angstrom
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Aragao, K.S, Satre, M, Imberty, A, Varrot, A.
Deposit date:2008-01-24
Release date:2008-07-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure Determination of Discoidin II from Dictyostelium Discoideum and Carbohydrate Binding Properties of the Lectin Domain.
Proteins, 73, 2008
8Q4U
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BU of 8q4u by Molmil
Crystal structure of YTHDC1 in complex with Compound 36 (ZA_540b)
Descriptor: 9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
2VIG
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BU of 2vig by Molmil
Crystal structure of human short-chain acyl CoA dehydrogenase
Descriptor: 1,2-ETHANEDIOL, COENZYME A PERSULFIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pike, A.C.W, Pantic, N, Parizotto, E, Gileadi, O, Ugochukwu, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Oppermann, U.
Deposit date:2007-11-30
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Short-Chain Acyl Coa Dehydrogenase
To be Published
8Q38
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BU of 8q38 by Molmil
Crystal structure of YTHDC1 in complex with Compound 19 (ZA_347)
Descriptor: SULFATE ION, YTH domain-containing protein 1, methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4Q
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BU of 8q4q by Molmil
Crystal structure of YTHDC1 in complex with Compound 29 (ZA_337)
Descriptor: 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2T
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BU of 8q2t by Molmil
Crystal structure of YTHDC1 in complex with Compound 5 (ZA_236)
Descriptor: 2-chloranyl-~{N}-methyl-9-(phenylmethyl)purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q33
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Crystal structure of YTHDC1 in complex with Compound 15 (ZA_343)
Descriptor: SULFATE ION, YTH domain-containing protein 1, ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
2YE0
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BU of 2ye0 by Molmil
X-ray structure of the cyan fluorescent protein mTurquoise (K206A mutant)
Descriptor: GREEN FLUORESCENT PROTEIN
Authors:von Stetten, D, Goedhart, J, Noirclerc-Savoye, M, Lelimousin, M, Joosen, L, Hink, M.A, van Weeren, L, Gadella, T.W.J, Royant, A.
Deposit date:2011-03-25
Release date:2012-03-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-Guided Evolution of Cyan Fluorescent Proteins Towards a Quantum Yield of 93%
Nat.Commun, 3, 2012
8Q4R
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BU of 8q4r by Molmil
Crystal structure of YTHDC1 in complex with Compound 30 (ZA_326)
Descriptor: SULFATE ION, YTH domain-containing protein 1, [4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024

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數據於2024-07-31公開中

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