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4C0C
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BU of 4c0c by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
分子名称: 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2013-08-01
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
4DC1
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BU of 4dc1 by Molmil
Crystal Structure of Y202F Actinorhodin Polyketide Ketoreductase with NADPH
分子名称: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Javidpour, P, Tsai, S.-C.
登録日2012-01-16
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
6HXW
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BU of 6hxw by Molmil
structure of human CD73 in complex with antibody IPH53
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, IPH53 heavy chain, ...
著者Roussel, A, Amigues, B.
登録日2018-10-18
公開日2019-08-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Blocking Antibodies Targeting the CD39/CD73 Immunosuppressive Pathway Unleash Immune Responses in Combination Cancer Therapies.
Cell Rep, 27, 2019
2MQ1
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BU of 2mq1 by Molmil
Phosphotyrosine binding domain
分子名称: E3 ubiquitin-protein ligase Hakai, ZINC ION
著者Mukherjee, M, Jing-Song, F, Sivaraman, J.
登録日2014-06-11
公開日2014-08-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dimeric switch of Hakai-truncated monomers during substrate recognition: insights from solution studies and NMR structure.
J.Biol.Chem., 289, 2014
1HHI
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BU of 1hhi by Molmil
THE ANTIGENIC IDENTITY OF PEPTIDE(SLASH)MHC COMPLEXES: A COMPARISON OF THE CONFORMATION OF FIVE PEPTIDES PRESENTED BY HLA-A2
分子名称: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN), INFLUENZA A MATRIX PROTEIN M1 (RESIDUES 58-66)
著者Madden, D.R, Garboczi, D.N, Wiley, D.C.
登録日1993-06-30
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2.
Cell(Cambridge,Mass.), 75, 1993
1DIW
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BU of 1diw by Molmil
THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH GALACTOSE
分子名称: TETANUS TOXIN HC, beta-D-galactopyranose
著者Emsley, P, Fotinou, C, Black, I, Fairweather, N.F, Charles, I.G, Watts, C, Hewitt, E, Isaacs, N.W.
登録日1999-11-30
公開日2000-03-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structures of the H(C) fragment of tetanus toxin with carbohydrate subunit complexes provide insight into ganglioside binding.
J.Biol.Chem., 275, 2000
2JUU
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BU of 2juu by Molmil
allo-ThrA3 DKP-insulin
分子名称: Insulin A chain, Insulin B chain
著者Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A.
登録日2007-09-03
公開日2007-10-16
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
1DLL
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BU of 1dll by Molmil
The HC fragement of tetanus toxin complexed with lactose
分子名称: GLYCEROL, TETANUS TOXIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Emsley, P, Fotinou, C, Black, I, Fairweather, N.F, Charles, I.G, Watts, C, Hewitt, E, Isaacs, N.W.
登録日1999-12-10
公開日2000-03-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structures of the H(C) fragment of tetanus toxin with carbohydrate subunit complexes provide insight into ganglioside binding.
J.Biol.Chem., 275, 2000
2JUM
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BU of 2jum by Molmil
ThrA3-DKP-insulin
分子名称: Insulin A chain, Insulin B chain
著者Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A.
登録日2007-08-31
公開日2007-10-16
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
2JUV
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BU of 2juv by Molmil
AbaA3-DKP-insulin
分子名称: Insulin A chain, Insulin B chain
著者Huang, K, Chan, S, Hua, Q, Chu, Y, Wang, R, Klaproth, B, Jia, W, Whittaker, J, De Meyts, P, Nakagawa, S.H, Steiner, D.F, Katsoyannis, P.G, Weiss, M.A.
登録日2007-09-05
公開日2007-10-16
最終更新日2021-10-20
実験手法SOLUTION NMR
主引用文献The A-chain of Insulin Contacts the Insert Domain of the Insulin Receptor: PHOTO-CROSS-LINKING AND MUTAGENESIS OF A DIABETES-RELATED CREVICE.
J.Biol.Chem., 282, 2007
5ZKH
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BU of 5zkh by Molmil
Crystal Structure of N-terminal Domain of Plasmodium falciparum p43
分子名称: Aminoacyl tRNA synthetase complex-interacting multifunctional protein P43
著者Manickam, Y, Sharma, A, Khan, S.
登録日2018-03-23
公開日2019-04-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.991 Å)
主引用文献Structural analysis of aminoacyl-tRNA synthetase-interacting multifunctional proteins from plasmodium species
To Be Published
1D62
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BU of 1d62 by Molmil
THE STRUCTURE OF A /B-DNA$ DECAMER WITH AN I(SLASH)*A MISMATCH AND COMPARISON WITH THE G(SLASH)*A MISMATCH
分子名称: 5'-D(*CP*CP*AP*AP*IP*AP*TP*TP*GP*G)-3'
著者Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Dickerson, R.E.
登録日1992-03-01
公開日1993-07-15
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA.
Biochemistry, 32, 1993
1D0H
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BU of 1d0h by Molmil
THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH N-ACETYL-GALACTOSAMINE
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, PROTEIN (TETANUS TOXIN HC), SULFATE ION
著者Emsley, P, Fotinou, C, Black, I, Fairweather, N.F, Charles, I.G, Watts, C, Hewitt, E, Isaacs, N.W.
登録日1999-09-10
公開日2000-03-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structures of the H(C) fragment of tetanus toxin with carbohydrate subunit complexes provide insight into ganglioside binding.
J.Biol.Chem., 275, 2000
3V9E
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BU of 3v9e by Molmil
Structure of the L499M mutant of the laccase from B.aclada
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ...
著者Osipov, E.M, Polyakov, K.M, Tikhonova, T.V, Dorovatovsky, P.V, Ludwig, R, Kittl, R, Shleev, S.V, Popov, V.O.
登録日2011-12-27
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Effect of the L499M mutation of the ascomycetous Botrytis aclada laccase on redox potential and catalytic properties.
Acta Crystallogr.,Sect.D, 70, 2014
1D61
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BU of 1d61 by Molmil
THE STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-I-T-T-G-G: MONOCLINIC FORM
分子名称: CACODYLATE ION, CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3')
著者Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Quintana, J, Dickerson, R.E.
登録日1992-02-26
公開日1993-04-15
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA.
Biochemistry, 32, 1993
6ICE
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BU of 6ice by Molmil
Crystal structure of Hamster MIF
分子名称: Macrophage migration inhibitory factor
著者Sundaram, R, Vasudevan, D.
登録日2018-09-05
公開日2019-09-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Macrophage migration inhibitory factor of Syrian golden hamster shares structural and functional similarity with human counterpart and promotes pancreatic cancer.
Sci Rep, 9, 2019
1FV2
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The Hc fragment of tetanus toxin complexed with an analogue of its ganglioside receptor GT1B
分子名称: ETHYL-TRIMETHYL-SILANE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-beta-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PHOSPHATE ION, ...
著者Fotinou, C, Emsley, P, Black, I, Ando, H, Ishida, H, Kiso, M, Sinha, K.A, Fairweather, N.F, Isaacs, N.W.
登録日2000-09-18
公開日2001-09-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of tetanus toxin Hc fragment complexed with a synthetic GT1b analogue suggests cross-linking between ganglioside receptors and the toxin.
J.Biol.Chem., 276, 2001
2HZC
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BU of 2hzc by Molmil
Crystal structure of the N-terminal RRM of the U2AF large subunit
分子名称: HEXAETHYLENE GLYCOL, Splicing factor U2AF 65 kDa subunit, ZINC ION
著者Thickman, K.R, Sickmier, E.A, Kielkopf, C.L.
登録日2006-08-08
公開日2006-08-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Alternative Conformations at the RNA-binding Surface of the N-terminal U2AF(65) RNA Recognition Motif.
J.Mol.Biol., 366, 2007
3NUL
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Profilin I from Arabidopsis thaliana
分子名称: GLYCEROL, PROFILIN I, SULFATE ION
著者Thorn, K, Christensen, H.E.M, Shigeta, R, Huddler, D, Chua, N.-H, Shalaby, L, Lindberg, U, Schutt, C.E.
登録日1996-11-27
公開日1997-12-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of a major allergen from plants.
Structure, 5, 1997
4KHP
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BU of 4khp by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit in complex with de-6-MSA-pactamycin
分子名称: 16S Ribosomal RNA, 30S Ribosomal protein S10, 30S Ribosomal protein S11, ...
著者Tourigny, D.S, Fernandez, I.S, Kelley, A.C, Ramakrishnan, V.
登録日2013-05-01
公開日2013-06-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of a Bioactive Pactamycin Analog Bound to the 30S Ribosomal Subunit.
J.Mol.Biol., 425, 2013
2KQT
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Solid-state NMR structure of the M2 transmembrane peptide of the influenza A virus in DMPC lipid bilayers bound to deuterated amantadine
分子名称: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, M2 protein
著者Cady, S.D, Schmidt-Rohr, K, Wang, J, Soto, C.S, DeGrado, W.F, Hong, M.
登録日2009-11-18
公開日2010-02-09
最終更新日2024-05-08
実験手法SOLID-STATE NMR
主引用文献Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers
Nature, 463, 2010
4M51
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Crystal structure of amidohydrolase nis_0429 (ser145ala mutant) from nitratiruptor sp. sb155-2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase family protein, BENZOIC ACID, ...
著者Patskovsky, Y, Toro, R, Gobble, A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-08-07
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Deamination of 6-aminodeoxyfutalosine in menaquinone biosynthesis by distantly related enzymes.
Biochemistry, 52, 2013
4DBZ
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Crystal Structure of V151L Actinorhodin Polyketide Ketoreductase with NADPH
分子名称: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Javidpour, P, Tsai, S.-C.
登録日2012-01-16
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.643 Å)
主引用文献The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
4DC0
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Crystal Structure of F189W Actinorhodin Polyketide Ketoreductase with NADPH
分子名称: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Javidpour, P, Tsai, S.-C.
登録日2012-01-16
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.813 Å)
主引用文献The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
1DFQ
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THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH SIALIC ACID
分子名称: N-acetyl-beta-neuraminic acid, TETANUS TOXIN HC
著者Emsley, P, Fotinou, C, Black, I, Fairweather, N.F, Charles, I.G, Watts, C, Hewitt, E, Isaacs, N.W.
登録日1999-11-20
公開日2000-03-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structures of the H(C) fragment of tetanus toxin with carbohydrate subunit complexes provide insight into ganglioside binding.
J.Biol.Chem., 275, 2000

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