5Q9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q9c by Molmil](/molmil-images/mine/5q9c) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 258) | 分子名称: | DCLRE1A, MALONATE ION, NICKEL (II) ION | 著者 | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2017-05-25 | 公開日 | 2018-08-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
|
|
5QSI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qsi by Molmil](/molmil-images/mine/5qsi) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z933326822 | 分子名称: | 3-(benzyloxy)aniline, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
|
|
5Q9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q9s by Molmil](/molmil-images/mine/5q9s) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 274) | 分子名称: | DCLRE1A, MALONATE ION, NICKEL (II) ION | 著者 | Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2017-05-25 | 公開日 | 2018-08-08 | 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
|
|
3SW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sw4 by Molmil](/molmil-images/mine/3sw4) | |
5QDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qdg by Molmil](/molmil-images/mine/5qdg) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000294a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one, 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 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
|
|
3G0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g0d by Molmil](/molmil-images/mine/3g0d) | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinedione inhibitor 2 | 分子名称: | 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | 登録日 | 2009-01-27 | 公開日 | 2010-02-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV. J.Med.Chem., 54, 2011
|
|
5QDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qdo by Molmil](/molmil-images/mine/5qdo) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOCR000171b | 分子名称: | 2-(thiophen-2-yl)-1H-imidazole, 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 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
|
|
5QE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qe5 by Molmil](/molmil-images/mine/5qe5) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000632a | 分子名称: | 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one, 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 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.773 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
|
|
3G1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g1x by Molmil](/molmil-images/mine/3g1x) | Crystal structure of the mutant D70G of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate | 分子名称: | CHLORIDE ION, Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | 著者 | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | 登録日 | 2009-01-30 | 公開日 | 2009-06-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
|
|
5QEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qeo by Molmil](/molmil-images/mine/5qeo) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000657b | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(piperidin-1-yl)benzoic acid, 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 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.721 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
|
|
5QFB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qfb by Molmil](/molmil-images/mine/5qfb) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_PKOOA000283c | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one, 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 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2019-02-06 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
|
|
5QFQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qfq by Molmil](/molmil-images/mine/5qfq) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000491a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide, 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 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.621 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
|
|
5QG5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qg5 by Molmil](/molmil-images/mine/5qg5) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000811b | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-hydroxybenzonitrile, 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 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
|
|
4C9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c9c by Molmil](/molmil-images/mine/4c9c) | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 1E protein (Form A) | 分子名称: | GLYCEROL, MAJOR STRAWBERRY ALLERGEN FRA A 1-E, SULFATE ION | 著者 | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | 登録日 | 2013-10-02 | 公開日 | 2013-10-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates. J.Biol.Chem., 288, 2013
|
|
5QS2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qs2 by Molmil](/molmil-images/mine/5qs2) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z291279160 | 分子名称: | 1-[2-(trifluoromethyloxy)phenyl]thiourea, CADMIUM ION, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
|
|
3S3B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s3b by Molmil](/molmil-images/mine/3s3b) | Structure of Thermus thermophilus cytochrome ba3 oxidase 240s after Xe depressurization | 分子名称: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | 著者 | Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D. | 登録日 | 2011-05-18 | 公開日 | 2012-05-23 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry, 51, 2012
|
|
5QRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qrf by Molmil](/molmil-images/mine/5qrf) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z373768900 | 分子名称: | CADMIUM ION, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
|
|
3G1D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g1d by Molmil](/molmil-images/mine/3g1d) | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with uridine 5'-monophosphate | 分子名称: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | 著者 | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | 登録日 | 2009-01-29 | 公開日 | 2009-06-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
|
|
5QRL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qrl by Molmil](/molmil-images/mine/5qrl) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z437516460 | 分子名称: | CADMIUM ION, N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
|
|
3FYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fyy by Molmil](/molmil-images/mine/3fyy) | Crystal structure of divergent enolase from Oceanobacillus iheyensis complexed with Mg | 分子名称: | MAGNESIUM ION, Muconate cycloisomerase | 著者 | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-01-23 | 公開日 | 2009-02-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis . Biochemistry, 48, 2009
|
|
5QSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qsb by Molmil](/molmil-images/mine/5qsb) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434874 | 分子名称: | 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
|
|
5QSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qss by Molmil](/molmil-images/mine/5qss) | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z33452282 | 分子名称: | Cohesin subunit SA-1, N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide | 著者 | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
|
|
5QSO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qso by Molmil](/molmil-images/mine/5qso) | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z466628048 | 分子名称: | Cohesin subunit SA-1, N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide | 著者 | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
|
|
1Q80
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1q80 by Molmil](/molmil-images/mine/1q80) | Solution structure and dynamics of Nereis sarcoplasmic calcium binding protein | 分子名称: | Sarcoplasmic calcium-binding protein | 著者 | Rabah, G, Popescu, R, Cox, J.A, Engelborghs, Y, Craescu, C.T. | 登録日 | 2003-08-20 | 公開日 | 2004-09-21 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure and internal dynamics of NSCP, a compact calcium-binding protein. Febs J., 272, 2005
|
|
5QSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qsn by Molmil](/molmil-images/mine/5qsn) | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z1272480091 | 分子名称: | (2R)-2-(methoxymethyl)-4-(pyridin-2-yl)morpholine, Cohesin subunit SA-1 | 著者 | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
|
|