8HUI
| Crystal structure of DFA I-forming Inulin Lyase from Streptomyces peucetius subsp. caesius ATCC 27952 in complex with GF4, DFA I, and fructose | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cheng, M, Rao, Y.J, Mu, W.M. | 登録日 | 2022-12-24 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Crystal structure of DFA I-forming Inulin Lyase from Streptomyces peucetius subsp. caesius ATCC 27952 in complex with GF4, DFA I, and fructose To Be Published
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8HSN
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1BIW
| DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS | 分子名称: | CALCIUM ION, N1-HYDROXY-2-(3-HYDROXY-PROPYL)-3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-2-OXO-AZEPAN-3-YL]-SUCCINAMIDE, PROTEIN (STROMELYSIN-1 COMPLEX), ... | 著者 | Natchus, M.G, Cheng, M, Wahl, C.T, Pikul, S, Almstead, N.G, Bradley, R.S, Taiwo, Y.O, Mieling, G.E, Dunaway, C.M, Snider, C.E, McIver, J.M, Barnett, B.L, McPhail, S.J, Anastasio, M.B, De, B. | 登録日 | 1998-06-19 | 公開日 | 1999-07-16 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design and synthesis of conformationally-constrained MMP inhibitors. Bioorg.Med.Chem.Lett., 8, 1998
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5CMA
| Anti-B7-H3 monoclonal antibody ch8H9 Fab fragment | 分子名称: | Antibody ch8H9 Fab heavy chain, Antibody ch8H9 Fab light chain | 著者 | Ahmed, M, Goldgur, Y, Cheng, M, Cheung, N.K. | 登録日 | 2015-07-16 | 公開日 | 2015-10-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Humanized Affinity-matured Monoclonal Antibody 8H9 Has Potent Antitumor Activity and Binds to FG Loop of Tumor Antigen B7-H3. J.Biol.Chem., 290, 2015
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1D7X
| CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A MODIFIED PROLINE SCAFFOLD BASED INHIBITOR. | 分子名称: | CALCIUM ION, N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ... | 著者 | Cheng, M.Y, Natchus, M.G, De, B, Almstead, N.G, Pikul, S. | 登録日 | 1999-10-20 | 公開日 | 2000-10-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design, synthesis, and biological evaluation of matrix metalloproteinase inhibitors derived from a modified proline scaffold. J.Med.Chem., 42, 1999
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1D8F
| CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A PIPERAZINE BASED INHIBITOR. | 分子名称: | CALCIUM ION, N-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-4-BENZYLOXYCARBONYL-PIPERAZINE-2-CARBOXAMIDE, STROMELYSIN-1 PRECURSOR, ... | 著者 | Cheng, M.Y, De, B, Pikul, S, Almstead, N.G, Natchus, M.G, Anastasio, M.V, McPhail, S.J, Snider, C.E, Taiwo, Y.O, Chen, L.Y. | 登録日 | 1999-10-22 | 公開日 | 2000-10-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and synthesis of piperazine-based matrix metalloproteinase inhibitors. J.Med.Chem., 43, 2000
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5U2M
| Crystal structure of human NAMPT with A-1293201 | 分子名称: | N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | 著者 | Longenecker, K.L, Raich, D, Korepanova, A.V. | 登録日 | 2016-11-30 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Mol. Cancer Ther., 16, 2017
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5U2N
| Crystal structure of human NAMPT with A-1326133 | 分子名称: | N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | 著者 | Longenecker, K.L, Raich, D, Korepanova, A.V. | 登録日 | 2016-11-30 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors. Mol. Cancer Ther., 16, 2017
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5UPE
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5UPF
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6V52
| IDO1 IN COMPLEX WITH COMPOUND 1 | 分子名称: | 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lesburg, C.A, Koenig, K.V, Augustin, M.A. | 登録日 | 2019-12-03 | 公開日 | 2020-04-08 | 最終更新日 | 2020-04-29 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1). Acs Med.Chem.Lett., 11, 2020
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6WPE
| HUMAN IDO1 IN COMPLEX WITH COMPOUND 4 | 分子名称: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lesburg, C.A, Lammens, A. | 登録日 | 2020-04-27 | 公開日 | 2021-03-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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6PU7
| Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide) | 分子名称: | Indoleamine 2,3-dioxygenase 1, N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Lesburg, C.A. | 登録日 | 2019-07-17 | 公開日 | 2019-12-04 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Discovery of Amino-cyclobutarene-derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors for Cancer Immunotherapy. Acs Med.Chem.Lett., 10, 2019
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6X5Y
| IDO1 in complex with compound 4 | 分子名称: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lesburg, C.A, Lammens, A. | 登録日 | 2020-05-27 | 公開日 | 2021-06-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
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7KLM
| Human Arginase1 Complexed with Inhibitor Compound 24a | 分子名称: | 3-[(2~{S},3~{R},4~{R})-4-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L. | 登録日 | 2020-10-30 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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7KLL
| Human Arginase1 Complexed with Inhibitor Compound 18 | 分子名称: | 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L. | 登録日 | 2020-10-30 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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7KLK
| Human Arginase1 Complexed with Inhibitor Compound 3a | 分子名称: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ... | 著者 | Palte, R.L. | 登録日 | 2020-10-30 | 公開日 | 2021-09-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology. Acs Med.Chem.Lett., 12, 2021
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6V7F
| Human Arginase1 Complexed with Bicyclic Inhibitor Compound 13 | 分子名称: | Arginase-1, MANGANESE (II) ION, {3-[(5R,7S,8S)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-) | 著者 | Palte, R.L, Lesburg, C.A. | 登録日 | 2019-12-08 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. Acs Med.Chem.Lett., 11, 2020
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6V7C
| Human Arginase1 Complexed with Bicyclic Inhibitor Compound 3 | 分子名称: | Arginase-1, MANGANESE (II) ION, {3-[(3aR,4S,5S,6aR)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-) | 著者 | Palte, R.L. | 登録日 | 2019-12-08 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. Acs Med.Chem.Lett., 11, 2020
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6V7D
| Human Arginase1 Complexed with Bicyclic Inhibitor Compound 10 | 分子名称: | Arginase-1, MANGANESE (II) ION, {3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-) | 著者 | Palte, R.L, Lesburg, C.A. | 登録日 | 2019-12-08 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. Acs Med.Chem.Lett., 11, 2020
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6V7E
| Human Arginase1 Complexed with Bicyclic Inhibitor Compound 12 | 分子名称: | 3-[(5~{S},7~{S},8~{S})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L. | 登録日 | 2019-12-08 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy. Acs Med.Chem.Lett., 11, 2020
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6WJY
| HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A | 分子名称: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Lesburg, C.A, Lammens, A, Neumann, L. | 登録日 | 2020-04-14 | 公開日 | 2020-08-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors. Acs Med.Chem.Lett., 11, 2020
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4NQJ
| Structure of coiled-coil domain | 分子名称: | DODECYL-BETA-D-MALTOSIDE, E3 ubiquitin-protein ligase TRIM69 | 著者 | Yang, M, Li, Y. | 登録日 | 2013-11-25 | 公開日 | 2014-05-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | Structural insights into the TRIM family of ubiquitin E3 ligases. Cell Res., 24, 2014
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5XVA
| Crystal Structure of PAK4 in complex with inhibitor CZH216 | 分子名称: | ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone | 著者 | Zhao, F, Li, H. | 登録日 | 2017-06-27 | 公開日 | 2018-02-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | 主引用文献 | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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5XVG
| Crystal Structure of PAK4 in complex with inhibitor CZH226 | 分子名称: | 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ... | 著者 | Zhao, F, Li, H. | 登録日 | 2017-06-27 | 公開日 | 2018-02-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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