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7FT9
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BU of 7ft9 by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z45636695
分子名称: 1,2-ETHANEDIOL, 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
1NKE
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BU of 1nke by Molmil
A BACILLUS DNA POLYMERASE I PRODUCT COMPLEX BOUND TO A CYTOSINE-THYMINE MISMATCH AFTER A SINGLE ROUND OF PRIMER EXTENSION, FOLLOWING INCORPORATION OF DCTP.
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA POLYMERASE I, DNA PRIMER STRAND, ...
著者Johnson, S.J, Beese, L.S.
登録日2003-01-02
公開日2004-03-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of mismatch replication errors observed in a DNA polymerase.
Cell(Cambridge,Mass.), 116, 2004
7FTA
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BU of 7fta by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z228589380
分子名称: 1,2-ETHANEDIOL, 3-[(pyrimidin-2-yl)amino]benzoic acid, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FST
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BU of 7fst by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z26968795
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
5RHV
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BU of 5rhv by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z62645406
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide, ...
著者Godoy, A.S, Mesquita, N.C.M.R, Oliva, G.
登録日2020-05-25
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7FTD
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BU of 7ftd by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z27782662
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
6BAI
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BU of 6bai by Molmil
Multiconformer model of apo K197C PTP1B at 100 K
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2017-10-12
公開日2018-06-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
2QQ3
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BU of 2qq3 by Molmil
Crystal Structure Of Enoyl-CoA Hydrates Subunit I (gk_2039) Other Form From Geobacillus Kaustophilus HTA426
分子名称: 1,2-ETHANEDIOL, Enoyl-CoA hydratase subunit I
著者Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-07-26
公開日2008-07-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure Of Enoyl-CoA Hydrates Subunit I (gk_2039) Other Form From Geobacillus Kaustophilus HTA426
To be Published
1U69
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BU of 1u69 by Molmil
Crystal Structure of PA2721 Protein of Unknown Function from Pseudomonas aeruginosa PAO1
分子名称: hypothetical protein
著者Nocek, B, Cuff, M, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-07-29
公開日2004-09-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.6 A crystal structure of a PA2721 protein from pseudomonas aeruginosa--a potential drug-resistance protein.
Proteins, 63, 2006
7FT7
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BU of 7ft7 by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z57127349
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FSL
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BU of 7fsl by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z730649594
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
4ODE
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BU of 4ode by Molmil
Co-Crystal Structure of MDM2 with Inhibitor Compound 4
分子名称: (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-01-10
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
7FSI
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BU of 7fsi by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z18197050
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
5RHL
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BU of 5rhl by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z425387594
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-(2-ethoxyphenyl)piperazine, ...
著者Godoy, A.S, Mesquita, N.C.M.R, Oliva, G.
登録日2020-05-25
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7FT0
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BU of 7ft0 by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z56767614
分子名称: 1,2-ETHANEDIOL, ALANINE, D-GLUTAMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FT5
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BU of 7ft5 by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with POB0093
分子名称: 1,2-ETHANEDIOL, 4-(4-methoxyphenyl)oxane-4-carboxylic acid, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7FSO
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BU of 7fso by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z198195770
分子名称: 1,2-ETHANEDIOL, D-GLUTAMIC ACID, GLYCINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
1TU6
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BU of 1tu6 by Molmil
Cathepsin K complexed with a ketoamide inhibitor
分子名称: Cathepsin K, SULFATE ION, [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE
著者Barrett, D.G, Catalano, J.G, Deaton, D.N, Hassell, A.M, Long, S.T, Miller, A.B, Miller, L.R, Shewchuk, L.M, Wells-Knecht, K.J, Wright, L.L.
登録日2004-06-24
公開日2004-09-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with improved pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions
BIOORG.MED.CHEM.LETT., 14, 2004
7FSQ
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BU of 7fsq by Molmil
SDCBP PanDDA analysis group deposition -- The PDZ domans of SDCBP in complex with Z1429867185
分子名称: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, ALANINE, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-01-24
公開日2023-02-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献SDCBP PanDDA analysis group deposition
To Be Published
7GSL
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BU of 7gsl by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000274b
分子名称: 2-(methylsulfanyl)pyridine-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
1TZ0
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BU of 1tz0 by Molmil
Crystal Structure of Putative Antibiotic Biosythesis Monooxygenase from Bacillus cereus
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, hypothetical protein
著者Kim, Y, Lezondra, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-07-09
公開日2004-09-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structure of Hypothetical Protein APC24875 from Bacillus cereus
To be Published
3ZCM
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BU of 3zcm by Molmil
Small molecule inhibitors of the LEDGF site of HIV integrase identified by fragment screening and structure based design.
分子名称: 5-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-prop-2-enyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, GLYCEROL, ...
著者Peat, T.S.
登録日2012-11-21
公開日2012-12-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
5RW5
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BU of 5rw5 by Molmil
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z69092635
分子名称: DIMETHYL SULFOXIDE, N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
著者Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
3ZHU
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BU of 3zhu by Molmil
Crystal structure of the SucA domain of Mycobacterium smegmatis KGD, second post-decarboxylation intermediate from 2-oxoadipate
分子名称: (5R)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate, CALCIUM ION, MAGNESIUM ION, ...
著者Wagner, T, Barilone, N, Bellinzoni, M, Alzari, P.M.
登録日2012-12-24
公開日2013-11-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Dual Conformation of the Post-Decarboxylation Intermediate is Associated with Distinct Enzyme States in Mycobacterial Alpha-Ketoglutarate Decarboxylase (Kgd).
Biochem.J., 457, 2014
7GT0
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BU of 7gt0 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000275a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-benzyl-N'-methyl-N-[(pyridin-3-yl)methyl]thiourea, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024

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件を2025-12-03に公開中

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