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3GIA
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BU of 3gia by Molmil
Crystal Structure of ApcT Transporter
分子名称: BICINE, DECANE, Uncharacterized protein MJ0609
著者Shaffer, P.L, Goehring, A.S, Shankaranarayanan, A, Gouaux, E, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2009-03-05
公開日2009-08-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure and mechanism of a na+-independent amino Acid transporter.
Science, 325, 2009
4NEW
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BU of 4new by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE)
分子名称: 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ...
著者Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F.
登録日2013-10-30
公開日2014-05-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
4NZL
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BU of 4nzl by Molmil
Extracellular proteins of Staphylococcus aureus inhibit the neutrophil serine proteases
分子名称: Neutrophil elastase, Uncharacterized protein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Stapels, D.A.C, von Koeckritz-Blickwede, M, Ramyar, K.X, Bischoff, M, Milder, F, Ruyken, M, Scheepmaker, L, McWhorter, W.J, Herrmann, M, van Kessel, K.P.M, Geisbrecht, B.V, Rooijakkers, S.H.M.
登録日2013-12-12
公開日2014-08-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Staphylococcus aureus secretes a unique class of neutrophil serine protease inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
1HTH
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BU of 1hth by Molmil
The solution structure of cyclic human parathyroid hormone fragment 1-34, NMR, 10 structures
分子名称: CYCLIC PARATHYROID HORMONE
著者Roesch, P, Seidel, G, Schaefer, W, Esswein, A, Hofmann, E.
登録日1997-04-09
公開日1997-10-15
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献The structure of human parathyroid hormone-related protein(1-34) in near-physiological solution.
Febs Lett., 444, 1999
3N9O
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BU of 3n9o by Molmil
ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K9me2 peptide and NOG
分子名称: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
著者Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
登録日2010-05-31
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.309 Å)
主引用文献Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
3WVW
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BU of 3wvw by Molmil
Crystal structure of RuCO/apo-WTFr
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ...
著者Fujita, K, Tanaka, Y, Abe, S, Hikage, T, Kuchimaru, T, Kizaka-Kondoh, S, Ueno, T.
登録日2014-06-09
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Intracellular CO release from composite of ferritin and ruthenium carbonyl complexes.
J.Am.Chem.Soc., 136, 2014
2FSA
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BU of 2fsa by Molmil
Crystal structure of PHD finger-linker-bromodomain fragment of human BPTF in the H3(1-15)K4ME2 bound state
分子名称: Histone H3(1-15)K4me2 peptide, ZINC ION, bromodomain PHD finger transcription factor
著者Li, H, Patel, D.J.
登録日2006-01-21
公開日2006-07-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for site-specific read-out of histone H3K4me3 by the BPTF PHD finger of NURF.
Nature, 442, 2006
3G61
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BU of 3g61 by Molmil
Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding
分子名称: (4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1a
著者Aller, S.G, Yu, J, Ward, A, Weng, Y, Chittaboina, S, Zhuo, R, Harrell, P.M, Trinh, Y.T, Zhang, Q, Urbatsch, I.L, Chang, G.
登録日2009-02-05
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (4.35 Å)
主引用文献Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.
Science, 323, 2009
3N9P
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BU of 3n9p by Molmil
ceKDM7A from C.elegans, complex with H3K4me3K27me2 peptide and NOG
分子名称: FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ...
著者Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y.
登録日2010-05-31
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.388 Å)
主引用文献Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
3WWT
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BU of 3wwt by Molmil
Crystal Structure of the Y3:STAT1ND complex
分子名称: C' protein, CALCIUM ION, Signal transducer and activator of transcription 1-alpha/beta
著者Oda, K, Sakaguchi, T, Matoba, Y.
登録日2014-06-27
公開日2015-07-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of the Inhibition of STAT1 Activity by Sendai Virus C Protein.
J.Virol., 89, 2015
4JSA
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BU of 4jsa by Molmil
Benzenesulfonamide complexed with hCAII H94D
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, SULFATE ION, ...
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
1HUN
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BU of 1hun by Molmil
SOLUTION STRUCTURE OF THE CHEMOKINE HMIP-1BETA(SLASH)ACT-2 BY MULTI-DIMENSIONAL NMR: A NOVEL CHEMOKINE DIMER
分子名称: HUMAN MACROPHAGE INFLAMMATORY PROTEIN 1 BETA
著者Clore, G.M, Lodi, P.J, Garrett, D.S, Gronenborn, A.M.
登録日1994-01-31
公開日1994-04-30
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of the beta chemokine hMIP-1 beta by multidimensional NMR.
Science, 263, 1994
6LN2
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BU of 6ln2 by Molmil
Crystal structure of full length human GLP1 receptor in complex with Fab fragment (Fab7F38)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab7F38_heavy chain, Fab7F38_light chain, ...
著者Wu, F, Yang, L, Hang, K, Laursen, M, Wu, L, Han, G.W, Ren, Q, Roed, N.K, Lin, G, Hanson, M, Jiang, H, Wang, M, Reedtz-Runge, S, Song, G, Stevens, R.C.
登録日2019-12-28
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Full-length human GLP-1 receptor structure without orthosteric ligands.
Nat Commun, 11, 2020
5DAX
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BU of 5dax by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with demethylated cyclopeptin
分子名称: 2-OXOGLUTARIC ACID, NICKEL (II) ION, Phytanoyl-CoA dioxygenase family protein (AFU_orthologue AFUA_8G00230), ...
著者Groll, M, Braeuer, A.
登録日2015-08-20
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Dioxygenase AsqJ: Mechanistic Insights into a One-Pot Multistep Quinolone Antibiotic Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
4NLN
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BU of 4nln by Molmil
Structure of human DNA polymerase beta complexed with nicked DNA containing a template 8BrG and incoming CTP
分子名称: 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.261 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
5D8T
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BU of 5d8t by Molmil
RNA octamer containing (S)-5' methyl, 2'-F U.
分子名称: COBALT HEXAMMINE(III), RNA oligonucleotide containing (S)-C5'-Me-2'-FU
著者Harp, J.M, Egli, M.
登録日2015-08-17
公開日2016-06-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Basis of Duplex Thermodynamic Stability and Enhanced Nuclease Resistance of 5'-C-Methyl Pyrimidine-Modified Oligonucleotides.
J.Org.Chem., 81, 2016
4NLZ
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BU of 4nlz by Molmil
Structure of human DNA polymerase beta complexed with nicked DNA containing a mismatched template 8BrG and incoming GTP
分子名称: 5'-D(*CP*CP*GP*AP*CP*(BGM)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*AP*G)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.683 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
4NKZ
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BU of 4nkz by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxypregnenolone
分子名称: (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
3G1E
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BU of 3g1e by Molmil
X-ray crystal structure of coil 1A of human vimentin
分子名称: Vimentin
著者Meier, M, Padilla, G.P, Herrmann, H, Wedig, T, Hergt, M, Patel, T.R, Stetefeld, J, Aebi, U, Burkhard, P.
登録日2009-01-29
公開日2009-05-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Vimentin coil 1A-A molecular switch involved in the initiation of filament elongation.
J.Mol.Biol., 390, 2009
5Z12
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BU of 5z12 by Molmil
A structure of FXR/RXR
分子名称: (9cis)-retinoic acid, 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor, ...
著者Lu, Y, Li, Y.
登録日2017-12-23
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural insights into the heterodimeric complex of the nuclear receptors FXR and RXR
J. Biol. Chem., 293, 2018
1Z89
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BU of 1z89 by Molmil
Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor
分子名称: 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
著者Steuber, H, Zentgraf, M, Podjarny, A, Heine, A, Klebe, G.
登録日2005-03-30
公開日2006-03-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group.
J.Mol.Biol., 356, 2006
5DAQ
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BU of 5daq by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ in complex with 4-Methoxycyclopeptin
分子名称: (3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 2-OXOGLUTARIC ACID, NICKEL (II) ION, ...
著者Groll, M, Braeuer, A.
登録日2015-08-20
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Dioxygenase AsqJ: Mechanistic Insights into a One-Pot Multistep Quinolone Antibiotic Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
1Z8A
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BU of 1z8a by Molmil
Human Aldose Reductase complexed with novel Sulfonyl-pyridazinone Inhibitor
分子名称: 6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
著者Steuber, H, Zentgraf, M, Podjarny, A, Heine, A, Klebe, G.
登録日2005-03-30
公開日2006-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group.
J.Mol.Biol., 356, 2006
3NKA
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BU of 3nka by Molmil
Crystal structure of AqpZ H174G,T183F
分子名称: Aquaporin Z, GLYCEROL, octyl beta-D-glucopyranoside
著者Savage, D.F, O'Connell III, J.D, Finer-Moore, J, Stroud, R.M.
登録日2010-06-18
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural context shapes the aquaporin selectivity filter.
Proc.Natl.Acad.Sci.USA, 107, 2010
1Z9Y
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BU of 1z9y by Molmil
carbonic anhydrase II in complex with furosemide as sulfonamide inhibitor
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Carbonic anhydrase II, ...
著者Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T.
登録日2005-04-05
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献carbonic anhydrase II in complex with furosemide as sulfonamide inhibitor
To be Published

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