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5AZ6
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BU of 5az6 by Molmil
Crystal structure of MBP-Tom20 fusion protein with a 2-residue spacer in the connector helix
分子名称: Maltose-binding periplasmic protein,Mitochondrial import receptor subunit TOM20 homolog, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Matsuoka, R, Kohda, D.
登録日2015-09-27
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Rational design of crystal contact-free space in protein crystals for analyzing spatial distribution of motions within protein molecules.
Protein Sci., 25, 2016
5B2D
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BU of 5b2d by Molmil
Crystal structure of Mumps virus hemagglutinin-neuraminidase bound to 3-sialyllactose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HN protein, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Kubota, M, Takeuchi, K, Watanabe, S, Ohno, S, Matsuoka, R, Kohda, D, Hiramatsu, H, Suzuki, Y, Nakayama, T, Terada, T, Shimizu, K, Shimizu, N, Yanagi, Y, Hashiguchi, T.
登録日2016-01-14
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.177 Å)
主引用文献Trisaccharide containing alpha 2,3-linked sialic acid is a receptor for mumps virus
Proc.Natl.Acad.Sci.USA, 113, 2016
5BMX
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BU of 5bmx by Molmil
Crystal structure of T75N mutant of Triosephosphate isomerase from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, SODIUM ION, SULFATE ION, ...
著者Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
登録日2015-05-24
公開日2015-07-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
5BSK
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BU of 5bsk by Molmil
Human HGPRT in complex with (S)-HPEPG, an acyclic nucleoside phosphonate
分子名称: (2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z.
登録日2015-06-02
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
5BT5
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BU of 5bt5 by Molmil
Crystal structure of BRD2 second bromodomain in complex with SGC-CBP30 chemical probe
分子名称: 1,2-ETHANEDIOL, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Bromodomain-containing protein 2
著者Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-06-02
公開日2015-07-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of BRD2 second bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
5BRN
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BU of 5brn by Molmil
Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate
分子名称: (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z.
登録日2015-05-31
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
5BOK
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BU of 5bok by Molmil
Ferredoxin component of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin
著者Ramaswamy, S, Kumari, A, Singh, D, Gurunath, R.
登録日2015-05-27
公開日2016-07-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ferredoxin component of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2
To Be Published
5BUG
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BU of 5bug by Molmil
Crystal structure of human phosphatase PTEN oxidized by H2O2
分子名称: L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N.
登録日2015-06-03
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
5BPN
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BU of 5bpn by Molmil
Crystal structure of nucleotide-free human Hsp70 NBD double mutant E268Q+R272K.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-28
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BRB
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BU of 5brb by Molmil
Crystal structure of Q64E mutant of Triosephosphate isomerase from Plasmodium falciparum
分子名称: SODIUM ION, Triosephosphate isomerase
著者Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
登録日2015-05-30
公開日2015-07-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
5B5Y
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BU of 5b5y by Molmil
Crystal structure of PtLCIB4, a homolog of the limiting CO2-inducible protein LCIB
分子名称: ACETATE ION, PtLCIB4, ZINC ION
著者Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Cajar, O.M, Gao, Y.
登録日2016-05-24
公開日2016-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5BT3
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BU of 5bt3 by Molmil
Crystal structure of EP300 bromodomain in complex with SGC-CBP30 chemical probe
分子名称: 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase p300, ISOPROPYL ALCOHOL
著者Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-06-02
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal structure of EP300 bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
5BMW
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BU of 5bmw by Molmil
Crystal structure of T75V mutant of Triosephosphate isomerase from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
登録日2015-05-23
公開日2015-07-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
5BN8
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BU of 5bn8 by Molmil
Crystal structure of nucleotide-free human Hsp70 NBD.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-25
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BUX
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BU of 5bux by Molmil
Crystal Structure of 3-hydroxyacyl-ACP dehydratase (FabZ) from Yersinia pestis with glycerol bound
分子名称: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, GLYCEROL, THIOCYANATE ION
著者McGillick, B, Kumaran, D, Swaminathan, S.
登録日2015-06-04
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of 3-hydroxyacyl-ACP dehydratase (FabZ) from Yersinia pestis with glycerol bound
To be Published
5B5Z
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BU of 5b5z by Molmil
Crystal structure of PtLCIB4 H88A mutant, a homolog of the limiting CO2-inducible protein LCIB
分子名称: PtLCIB4 H88A mutant, ZINC ION
著者Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y.
登録日2016-05-24
公開日2016-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5BU4
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BU of 5bu4 by Molmil
RIBONUCLEASE T1 COMPLEX WITH 2'GMP
分子名称: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1)
著者Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J.
登録日1998-09-15
公開日1998-09-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Conserved water molecules in a large family of microbial ribonucleases.
Proteins, 36, 1999
5BUU
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BU of 5buu by Molmil
Crystal structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM-321 at 2.07 A resolution
分子名称: (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, 1,2-ETHANEDIOL, GLUTAMIC ACID, ...
著者Larsen, A.P, Tapken, D, Frydenvang, K, Kastrup, J.S.
登録日2015-06-04
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Synthesis and Pharmacology of Mono-, Di-, and Trialkyl-Substituted 7-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides Combined with X-ray Structure Analysis to Understand the Unexpected Structure-Activity Relationship at AMPA Receptors.
Acs Chem Neurosci, 7, 2016
5BN9
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BU of 5bn9 by Molmil
Crystal structure of ADP bound human Hsp70 NBD mutant R272K.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-25
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BNH
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BU of 5bnh by Molmil
Crystal structure of the HLTF HIRAN domain with a ssDNA fragment
分子名称: ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ...
著者Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S.
登録日2015-05-26
公開日2016-05-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment
To Be Published
5B7X
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BU of 5b7x by Molmil
NMR Solution structure of an EF-hand Calcium binding protein (EhCaBP6) from Entamoeba Histolytica
分子名称: CALCIUM ION, Calmodulin, putative
著者Verma, D, Chary, K.V.
登録日2016-06-10
公開日2017-05-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An Unusual Nuclear Localized Ca2+-Binding Protein from Entamoeba histolytica that Exhibits GTPase Activity
To Be Published
5AO0
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BU of 5ao0 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 41-583) bound to ddGTP
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, ...
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.731 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AQI
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BU of 5aqi by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: ADENINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AO3
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BU of 5ao3 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-626) bound to GTP
分子名称: DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
5AQK
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BU of 5aqk by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016

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