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4YH4
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BU of 4yh4 by Molmil
Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d)
分子名称: 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ...
著者Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2015-02-26
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
4YUK
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BU of 4yuk by Molmil
Multiconformer synchrotron model of CypA at 260 K
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
登録日2015-03-18
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
5MHL
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BU of 5mhl by Molmil
FXIIIa in complex with the inhibitor Mi0621
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Coagulation factor XIII A chain, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2016-11-24
公開日2017-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献FXIIIa in complex with the inhibitor Mi0621
To Be Published
1UZV
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BU of 1uzv by Molmil
High affinity fucose binding of Pseudomonas aeruginosa lectin II: 1.0 A crystal structure of the complex
分子名称: CALCIUM ION, PSEUDOMONAS AERUGINOSA LECTIN II, SULFATE ION, ...
著者Mitchell, E, Sabin, C.D, Snajdrova, L, Budova, M, Perret, S, Gautier, C, Gilboa-Garber, N, Koca, J, Wimmerova, M, Imberty, A.
登録日2004-03-17
公開日2004-12-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin Pa-Iil: 1.0 A Resolution Crystal Structure of the Complex Combined with Thermodynamics and Computational Chemistry Approaches.
Proteins, 58, 2005
3ND9
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BU of 3nd9 by Molmil
Structural characterization for the nucleotide binding ability of subunit A of the A1AO ATP synthase
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, V-type ATP synthase alpha chain
著者Kumar, A, Jeyakanthan, J, Gruber, G.
登録日2010-06-07
公開日2011-03-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase.
J.Mol.Biol., 408, 2011
6KLX
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BU of 6klx by Molmil
Pore structure of Iota toxin binding component (Ib)
分子名称: CALCIUM ION, Iota toxin component Ib
著者Yoshida, T, Yamada, T, Kawamoto, A, Mitsuoka, K, Iwasaki, K, Tsuge, H.
登録日2019-07-30
公開日2020-01-15
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structures reveal translocational unfolding in the clostridial binary iota toxin complex.
Nat.Struct.Mol.Biol., 27, 2020
6D0J
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BU of 6d0j by Molmil
Crystal structure of a CLC-type fluoride/proton antiporter
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ...
著者Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C.
登録日2018-04-10
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A CLC-type F-/H+antiporter in ion-swapped conformations.
Nat. Struct. Mol. Biol., 25, 2018
4YO7
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BU of 4yo7 by Molmil
Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CHLORIDE ION, MAGNESIUM ION, ...
著者Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2015-03-11
公開日2015-03-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of an ABC transporter solute binding protein (IPR025997) from Bacillus halodurans C-125 (BH2323, TARGET EFI-511484) with bound myo-inositol
To be published
2VLV
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BU of 2vlv by Molmil
Crystal structure of barley thioredoxin h isoform 2 in partially radiation-reduced state
分子名称: THIOREDOXIN H ISOFORM 2.
著者Maeda, K, Hagglund, P, Finnie, C, Svensson, B, Henriksen, A.
登録日2008-01-16
公開日2008-04-29
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of Barley Thioredoxin H Isoforms Hvtrxh1 and Hvtrxh2 Reveal Features Involved in Protein Recognition and Possibly in Discriminating the Isoform Specificity.
Protein Sci., 17, 2008
1A2C
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BU of 1a2c by Molmil
Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA
分子名称: Aeruginosin 298-A, Hirudin variant-2, SODIUM ION, ...
著者Rios-Steiner, J.L, Murakami, M, Tulinsky, A.
登録日1997-12-26
公開日1998-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Thrombin Inhibited by Aeruginosin 298-A from a Blue-Green Alga
J.Am.Chem.Soc., 120, 1998
6JWQ
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BU of 6jwq by Molmil
Crystal structure of Plasmodium falciparum HPPK-DHPS wild type
分子名称: 7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
著者Chitnumsub, P, Jaruwat, A, Yuthavong, Y.
登録日2019-04-21
公開日2020-02-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The structure of Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase reveals the basis of sulfa resistance.
Febs J., 287, 2020
6C9X
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BU of 6c9x by Molmil
THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose
分子名称: (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CHLORIDE ION, FORMIC ACID, ...
著者Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2018-01-29
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.457 Å)
主引用文献THE CRYSTAL STRUCTURE OF THE alpha-Glucosidase (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with voglibose
To Be Published
6CAJ
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BU of 6caj by Molmil
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from Homo sapiens
分子名称: 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ...
著者Tsai, J.C, Miller-Vedam, L.E, Anand, A.A, Jaishankar, P, Nguyen, H.C, Renslo, A.R, Frost, A, Walter, P.
登録日2018-01-31
公開日2018-04-11
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of the nucleotide exchange factor eIF2B reveals mechanism of memory-enhancing molecule.
Science, 359, 2018
4YDY
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BU of 4ydy by Molmil
CRYSTAL STRUCTURE OF DARPIN 44C12V5 IN COMPLEX WITH HUMAN IL-4
分子名称: ACETATE ION, DARPIN 44C12V5, GLYCEROL, ...
著者Teplyakov, A, Obmolova, G, Gilliland, G.
登録日2015-02-23
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CRYSTAL STRUCTURE OF DARPIN 44C12V5 IN COMPLEX WITH HUMAN IL-4
To Be Published
5MKK
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BU of 5mkk by Molmil
Crystal structure of the heterodimeric ABC transporter TmrAB, a homolog of the antigen translocation complex TAP
分子名称: Multidrug resistance ABC transporter ATP-binding and permease protein, SULFATE ION
著者Noell, A, Thomas, C, Tomasiak, T.M, Olieric, V, Wang, M, Diederichs, K, Stroud, R.M, Pos, K.M, Tampe, R.
登録日2016-12-05
公開日2017-01-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1ABI
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BU of 1abi by Molmil
STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRULOG 3
著者Qiu, X, Tulinsky, A.
登録日1992-08-24
公開日1994-01-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors.
Biochemistry, 31, 1992
4Z4P
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BU of 4z4p by Molmil
Structure of the MLL4 SET Domain
分子名称: Histone-lysine N-methyltransferase 2D, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Zhang, Z, Mittal, A, Reid, J, Reich, S, Gamblin, S.J, Wilson, J.R.
登録日2015-04-02
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolving Catalytic Properties of the MLL Family SET Domain.
Structure, 23, 2015
4Z41
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BU of 4z41 by Molmil
X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound with a S,O Bidentate Ligand (9a=Chloro-(1-(3'-hydroxy)-3-(methylthio)-3-thioxo-prop-1-en-1-olate-O,S)-(dimethylsulfoxide-S)-platinum(II))
分子名称: 1,2-ETHANEDIOL, 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol, DIMETHYL SULFOXIDE, ...
著者Merlino, A.
登録日2015-04-01
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding.
Inorg.Chem., 54, 2015
4Z7H
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BU of 4z7h by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3
分子名称: 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Joshi, A, Bayliss, R.
登録日2015-04-07
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
1AMY
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BU of 1amy by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF BARLEY ALPHA-AMYLASE
分子名称: 1,4-ALPHA-D-GLUCAN GLUCANOHYDROLASE, CALCIUM ION
著者Kadziola, A, Haser, R.
登録日1994-03-10
公開日1995-05-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal and molecular structure of barley alpha-amylase.
J.Mol.Biol., 239, 1994
6BVN
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BU of 6bvn by Molmil
Cryo-EM Structure of Hepatitis B virus T=3 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA
分子名称: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine
著者Schlicksup, C, Wang, J.C, Zlotnick, A.
登録日2017-12-13
公開日2018-02-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids.
Elife, 7, 2018
6IGL
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BU of 6igl by Molmil
Crystal Structure of human ETB receptor in complex with IRL1620
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Endothelin receptor type B,Endolysin,Endothelin receptor type B, ...
著者Shihoya, W, Izume, T, Inoue, A, Yamashita, K, kadji, F.M.N, Hirata, K, Aoki, J, Nishizawa, T, Nureki, O.
登録日2018-09-25
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of human ETBreceptor provide mechanistic insight into receptor activation and partial activation.
Nat Commun, 9, 2018
6IGP
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BU of 6igp by Molmil
Crystal structure of S9 peptidase (inactive state)from Deinococcus radiodurans R1 in P212121
分子名称: Acyl-peptide hydrolase, putative, GLYCEROL
著者Yadav, P, Goyal, V.D, Kumar, A, Makde, R.D.
登録日2018-09-25
公開日2018-11-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms.
J.Biol.Chem., 294, 2019
6IMW
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BU of 6imw by Molmil
The complex structure of endo-beta-1,2-glucanase mutant (E262Q) from Talaromyces funiculosus with beta-1,2-glucan
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Endo-beta-1,2-glucanase, ...
著者Tanaka, N, Nakajima, M, Narukawa-Nara, M, Matsunaga, H, Kamisuki, S, Aramasa, H, Takahashi, Y, Sugimoto, N, Abe, K, Miyanaga, A, Yamashita, T, Sugawara, F, Kamakura, T, Komba, S, Nakai, H, Taguchi, H.
登録日2018-10-23
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family.
J.Biol.Chem., 294, 2019
4YXT
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PksG, a HMG-CoA Synthase from Bacillus subtilus
分子名称: Polyketide biosynthesis 3-hydroxy-3-methylglutaryl-ACP synthase PksG
著者Till, M, Nair, A.V, Robson, A, Race, P.R.
登録日2015-03-23
公開日2016-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PksG, a HMG-CoA Synthase from Bacillus subtilus
To Be Published

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