7AVY
 
 | | MerTK kinase domain in complex with quinazoline-based inhbitor | | 分子名称: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
|
|
7AVX
 | | MerTK kinase domain in complex with NPS-1034 | | 分子名称: | 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
|
|
7AVZ
 | | MerTK kinase domain in complex with a bisaminopyrimidine inhibitor | | 分子名称: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer | | 著者 | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
|
|
7AW2
 | | MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library | | 分子名称: | 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
|
|
7AW3
 | | MerTK kinase domain with type 1 inhibitor from a DNA-encoded library | | 分子名称: | 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
|
|
7AW4
 | | MerTK kinase domain with type 3 inhibitor from a DNA-encoded library | | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide, CHLORIDE ION, ... | | 著者 | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
|
|
7AW0
 | | MerTK kinase domain in complex with purine inhibitor | | 分子名称: | 2-(cyclopentyloxy)-9-(2,6-difluorobenzyl)-N-methyl-9H-purin-6-amine, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Clarke, M, Disch, J, Goldberg, K, Guilinger, J, Hennessy, E.J, Jetson, R, Ginkunja, D, Hardaker, E, Keefe, A, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S, Zhang, Y. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.893 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
|
|
7AW1
 | | MerTK kinase domain in complex with a type 2 inhibitor | | 分子名称: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer | | 著者 | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | | 登録日 | 2020-11-06 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
|
|
7AHS
 | | titin-N2A Ig81-Ig83 | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Isoform 5 of Titin, ... | | 著者 | Fleming, J.R, Mayans, O. | | 登録日 | 2020-09-25 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | The N2A region of titin has a unique structural configuration.
J.Gen.Physiol., 153, 2021
|
|
7AGB
 | | Protease Sapp1p from Candida parapsilosis in complex with KB70 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Candidapepsin, ... | | 著者 | Dostal, J, Heidingsfeld, O, Brynda, J. | | 登録日 | 2020-09-22 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
J Enzyme Inhib Med Chem, 36, 2021
|
|
7AGE
 | |
7AGD
 | | Protease Sapp1p from Candida parapsilosis in complex with KB75 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Candidapepsin, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Dostal, J, Heidingsfeld, O, Brynda, J. | | 登録日 | 2020-09-22 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
J Enzyme Inhib Med Chem, 36, 2021
|
|
7AGC
 | | Protease Sapp1p from Candida parapsilosis in complex with KB74 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Candidapepsin, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Dostal, J, Heidingsfeld, O, Brynda, J. | | 登録日 | 2020-09-22 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
J Enzyme Inhib Med Chem, 36, 2021
|
|
7AUE
 | | Melanocortin receptor 4 (MC4R) Gs protein complex | | 分子名称: | AMINOSERINE, CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Degtjarik, O, Israeli, H, Prabahar, V, Shalev-Benami, M. | | 登録日 | 2020-11-02 | | 公開日 | 2021-04-28 | | 最終更新日 | 2023-03-15 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structure reveals the activation mechanism of the MC4 receptor to initiate satiation signaling.
Science, 372, 2021
|
|
7AX1
 | |
7AIZ
 | | Vanadium nitrogenase VFe protein, high CO state | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | | 著者 | Rohde, M, Einsle, O. | | 登録日 | 2020-09-28 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Two ligand-binding sites in CO-reducing V nitrogenase reveal a general mechanistic principle.
Sci Adv, 7, 2021
|
|
7AZ9
 | | Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE | | 分子名称: | PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase | | 著者 | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | | 登録日 | 2020-11-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps.
Iucrj, 8, 2021
|
|
7AZ4
 | | Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID | | 分子名称: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | | 著者 | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | | 登録日 | 2020-11-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.15 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps.
Iucrj, 8, 2021
|
|
7AZ3
 | | Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID | | 分子名称: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | | 著者 | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | | 登録日 | 2020-11-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.15 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps.
Iucrj, 8, 2021
|
|
7AZA
 | | Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE | | 分子名称: | PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase | | 著者 | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | | 登録日 | 2020-11-16 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | | 主引用文献 | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps.
Iucrj, 8, 2021
|
|
7AI8
 | | Structure of Ribonucleotide reductase R2 from Escherichia coli collected by still serial crystallography on a COC membrane at a synchrotron source | | 分子名称: | FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta | | 著者 | Aurelius, O, John, J, Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Hogbom, M, Wang, M, Marsh, M. | | 登録日 | 2020-09-26 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
7AI9
 | | Structure of Ribonucleotide reductase R2 from Escherichia coli collected by rotation serial crystallography on a COC membrane at a synchrotron source | | 分子名称: | FE (III) ION, Ribonucleoside-diphosphate reductase 1 subunit beta | | 著者 | Aurelius, O, John, J, Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Hogbom, M, Wang, M, Marsh, M. | | 登録日 | 2020-09-26 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
4Q0N
 | | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand | | 分子名称: | (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1 | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Monteiro, O, Fedorov, O, Chaikuad, A, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2014-04-02 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
To be Published
|
|
7B00
 | | Human LAT2-4F2hc complex in the apo-state | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Digitonin, Isoform 2 of 4F2 cell-surface antigen heavy chain, ... | | 著者 | Rodriguez, C.F, Escudero-Bravo, P, Garcia-Martin, C, Boskovic, J, Errasti-Murugarren, E, Palacin, M, Llorca, O. | | 登録日 | 2020-11-17 | | 公開日 | 2021-10-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | | 主引用文献 | Structural basis for substrate specificity of heteromeric transporters of neutral amino acids.
Proc Natl Acad Sci U S A, 118, 2021
|
|
1KC7
 | | Pyruvate Phosphate Dikinase with Bound Mg-phosphonopyruvate | | 分子名称: | MAGNESIUM ION, PHOSPHONOPYRUVATE, SULFATE ION, ... | | 著者 | Chen, C.C, Howard, A, Herzberg, O. | | 登録日 | 2001-11-07 | | 公開日 | 2002-01-30 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Pyruvate site of pyruvate phosphate dikinase: crystal structure of the enzyme-phosphonopyruvate complex, and mutant analysis
Biochemistry, 41, 2002
|
|
