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1R37
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BU of 1r37 by Molmil
Alcohol dehydrogenase from sulfolobus solfataricus complexed with NAD(H) and 2-ethoxyethanol
分子名称: 2-ETHOXYETHANOL, NAD-dependent alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Esposito, L, Bruno, I, Sica, F, Raia, C.A, Giordano, A, Rossi, M, Mazzarella, L, Zagari, A.
登録日2003-09-30
公開日2004-02-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus
Biochemistry, 42, 2003
5UMC
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BU of 5umc by Molmil
Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography
分子名称: Carbonic anhydrase 2, GLYCEROL, UNKNOWN LIGAND, ...
著者Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F.
登録日2017-01-26
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
ACS Med Chem Lett, 8, 2017
6TGG
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BU of 6tgg by Molmil
scFv-1SM3 in complex with glycopeptide containing an sp2-imino sugar
分子名称: 1,2-ETHANEDIOL, Mucin-1, ScFv_SM3, ...
著者Bermejo, I.A, Navo, C.D, Castro-Lopez, J, Samchez-Fernandez, E.M, Guerreiro, A, Avenoza, A, Busto, J.H, Garcia-Martin, F, Nishimura, S.I, Garcia-Fernandez, J.M, Ortiz-Mellet, C, Bernardes, G.J.L, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F.
登録日2019-11-15
公開日2020-04-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, conformational analysis and in vivo assays of an anti-cancer vaccine that features an unnatural antigen based on an sp 2 -iminosugar fragment.
Chem Sci, 11, 2020
4ZT1
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BU of 4zt1 by Molmil
Crystal structure of human E-Cadherin (residues 3-213) in x-dimer conformation
分子名称: CALCIUM ION, Cadherin-1
著者Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E.
登録日2015-05-14
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
J.Med.Chem., 59, 2016
1T6C
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BU of 1t6c by Molmil
Structural characterization of the Ppx/GppA protein family: crystal structure of the Aquifex aeolicus family member
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Kristensen, O, Laurberg, M, Liljas, A, Kastrup, J.S, Gajhede, M.
登録日2004-05-06
公開日2004-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural characterization of the stringent response related exopolyphosphatase/guanosine pentaphosphate phosphohydrolase protein family
Biochemistry, 43, 2004
4XCE
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BU of 4xce by Molmil
Crystal structure of human 4E10 Fab crystalized in the presence of Phosphatidylcholine (06:0 PC); C2 space group
分子名称: 4E10 Fab heavy chain, 4E10 Fab light chain
著者Irimia, A, Stanfield, R.L, Wilson, I.A.
登録日2014-12-17
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
6T8A
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BU of 6t8a by Molmil
Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ...
著者Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O.
登録日2019-10-24
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492)
to be published
5N7E
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BU of 5n7e by Molmil
Crystal structure of the Dbl-homology domain of Bcr-Abl in complex with monobody Mb(Bcr-DH_4).
分子名称: Breakpoint cluster region protein, Mb(Bcr-DH_4)
著者Reckel, S, Reynaud, A, Pojer, F, Hantschel, O.
登録日2017-02-20
公開日2017-12-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.647 Å)
主引用文献Structural and functional dissection of the DH and PH domains of oncogenic Bcr-Abl tyrosine kinase.
Nat Commun, 8, 2017
5NAT
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BU of 5nat by Molmil
Complement factor D in complex with the inhibitor (S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(1-methyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide]
分子名称: (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D, GLYCEROL
著者Mac Sweeney, A, Ostermann, N.
登録日2017-02-28
公開日2018-03-21
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J.Med.Chem., 60, 2017
1RLH
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BU of 1rlh by Molmil
Structure of a conserved protein from Thermoplasma acidophilum
分子名称: SODIUM ION, conserved hypothetical protein
著者Cuff, M.E, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2003-11-25
公開日2004-05-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a conserved protein from T. acidophilum
To be Published
1TR0
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BU of 1tr0 by Molmil
Crystal Structure of a boiling stable protein SP1
分子名称: GLYCEROL, stable protein 1
著者Almog, O, Gonzalez, A, Sofer, O, Dgany, O, Shoseyov, O.
登録日2004-06-18
公開日2004-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structural basis of the thermostability of SP1, a novel plant (Populus tremula) boiling stable protein
J.Biol.Chem., 279, 2004
4XDL
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BU of 4xdl by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative.
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ...
著者Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2014-12-19
公開日2015-03-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
6TDV
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BU of 6tdv by Molmil
Cryo-EM structure of Euglena gracilis mitochondrial ATP synthase, membrane region
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ATPEG1, ATPEG2, ...
著者Muhleip, A, Amunts, A.
登録日2019-11-10
公開日2019-11-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of a mitochondrial ATP synthase with bound native cardiolipin.
Elife, 8, 2019
4DF4
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BU of 4df4 by Molmil
Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 7-(N-(10-hydroxydecanoyl)-aminopentinyl)-7-deaza-2 -dATP
分子名称: 1,2-ETHANEDIOL, 7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ...
著者Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A.
登録日2012-01-23
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J.Am.Chem.Soc., 134, 2012
6TE0
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BU of 6te0 by Molmil
Cryo-EM structure of Euglena gracilis mitochondrial ATP synthase, OSCP/F1/c-ring, rotational state 3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F1 subunit gamma protein, ...
著者Muhleip, A, Amunts, A.
登録日2019-11-10
公開日2019-11-27
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Structure of a mitochondrial ATP synthase with bound native cardiolipin.
Elife, 8, 2019
6TDU
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BU of 6tdu by Molmil
Cryo-EM structure of Euglena gracilis mitochondrial ATP synthase, full dimer, rotational states 1
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Muhleip, A, Amunts, A.
登録日2019-11-10
公開日2019-11-27
実験手法ELECTRON MICROSCOPY (4.32 Å)
主引用文献Structure of a mitochondrial ATP synthase with bound native cardiolipin.
Elife, 8, 2019
4YX4
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BU of 4yx4 by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1).
分子名称: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
著者Rechlin, C, Heine, A, Klebe, G.
登録日2015-03-22
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
6D33
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BU of 6d33 by Molmil
Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyribose-phosphate aldolase, GLYCEROL
著者Stogios, P.J, Skarina, T, Kim, T, Yim, V, Yakunin, A, Savchenko, A.
登録日2018-04-14
公開日2019-10-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Rational engineering of 2-deoxyribose-5-phosphate aldolases for the biosynthesis of (R)-1,3-butanediol.
J.Biol.Chem., 295, 2020
2I17
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BU of 2i17 by Molmil
Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K
分子名称: Aldose reductase, CITRIC ACID, IDD594, ...
著者Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A.
登録日2006-08-13
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.81 Å)
主引用文献Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
4YFD
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BU of 4yfd by Molmil
Crystal structure PTP delta Ig1-Fn2 in complex with IL-1RAcP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein, Receptor-type tyrosine-protein phosphatase delta
著者Yamagata, A, Fukai, S.
登録日2015-02-25
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.253 Å)
主引用文献Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation.
Nat Commun, 6, 2015
5VEN
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BU of 5ven by Molmil
Murine ectonucleotide pyrophosphatase / phosphodiesterase 5 (ENPP5, NPP5)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ectonucleotide pyrophosphatase/phosphodiesterase family member 5, ...
著者Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B.
登録日2017-04-05
公開日2017-09-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A key tyrosine substitution restricts nucleotide hydrolysis by the ectoenzyme NPP5.
FEBS J., 284, 2017
194L
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BU of 194l by Molmil
THE 1.40 A STRUCTURE OF SPACEHAB-01 HEN EGG WHITE LYSOZYME
分子名称: CHLORIDE ION, LYSOZYME, SODIUM ION
著者Vaney, M.C, Maignan, S, Ries-Kautt, M, Ducruix, A.
登録日1995-09-01
公開日1995-12-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution structure (1.33 A) of a HEW lysozyme tetragonal crystal grown in the APCF apparatus. Data and structural comparison with a crystal grown under microgravity from SpaceHab-01 mission.
Acta Crystallogr.,Sect.D, 52, 1996
6VPB
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BU of 6vpb by Molmil
A novel membrane-bound 6-phosphogluconate dehydrogenase from the acetic acid bacteria Gluconacetobacter diazotrophicus (Gd6PGD)
分子名称: 6-phosphogluconate dehydrogenase, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL, ...
著者Rodriguez-Romero, A, Rodriguez-Hernandez, A.
登録日2020-02-02
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The structure of a novel membrane-associated 6-phosphogluconate dehydrogenase from Gluconacetobacter diazotrophicus (Gd6PGD) reveals a subfamily of short-chain 6PGDs.
Febs J., 288, 2021
4JAI
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BU of 4jai by Molmil
Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide
分子名称: Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide
著者Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S.
登録日2013-02-18
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6VX8
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BU of 6vx8 by Molmil
bestrophin-2 Ca2+- unbound state 2 (EGTA only)
分子名称: Bestrophin, CHLORIDE ION
著者Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T.
登録日2020-02-21
公開日2020-04-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.33 Å)
主引用文献Structural and functional characterization of the bestrophin-2 anion channel.
Nat.Struct.Mol.Biol., 27, 2020

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