3L9P
 
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3LCS
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3NUP
 | | CDK6 (monomeric) in complex with inhibitor | | 分子名称: | 4-[3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine, Cell division protein kinase 6 | | 著者 | Chopra, R. | | 登録日 | 2010-07-07 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
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3NUX
 | | CDK6 (monomeric) in complex with inhibitor | | 分子名称: | 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine, Cell division protein kinase 6 | | 著者 | Chopra, R. | | 登録日 | 2010-07-07 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6.
J.Med.Chem., 53, 2010
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5X6Q
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4NK3
 | | Amp-c beta-lactamase (pseudomonas aeruginosa) in complex with mk-7655 | | 分子名称: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | 著者 | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | | 登録日 | 2013-11-12 | | 公開日 | 2014-02-19 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of MK-7655, a beta-lactamase inhibitor for combination with Primaxin().
Bioorg.Med.Chem.Lett., 24, 2014
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5X6R
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5X68
 | | Crystal Structure of Human KMO | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase | | 著者 | Kim, H.T, Hwang, K.Y. | | 登録日 | 2017-02-21 | | 公開日 | 2018-02-21 | | 最終更新日 | 2018-05-02 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Basis for Inhibitor-Induced Hydrogen Peroxide Production by Kynurenine 3-Monooxygenase
Cell Chem Biol, 25, 2018
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5X6P
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5YCX
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5YCS
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5YCR
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5YCV
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8FDY
 | | Human GAR transformylase in complex with GAR substrate and AGF132 inhibitor | | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]pyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | | 著者 | Wong-Roushar, J, Dann III, C.E. | | 登録日 | 2022-12-05 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-05-31 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
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8FDX
 | | AGF271 and GAR in complex with human recombinant GARFTase, ligase, purine biosynthesis, transfers formyl group from 10-formyl tetrahydrofolate to glycinamide ribonucleotide (GAR) to form tetrahydrofolate and formyl GAR | | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | 著者 | Nyman, M.C, Wong-Roushar, J, Dann III, C.E. | | 登録日 | 2022-12-05 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
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8FE0
 | | Human GAR transformylase in complex with GAR substrate and AGF305 inhibitor | | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | | 著者 | Wong-Roushar, J, Dann III, C.E. | | 登録日 | 2022-12-05 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-05-31 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
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8FDZ
 | | Human GAR transformylase in complex with GAR substrate and AGF302 inhibitor | | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE, N-{5-[4-(2-amino-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]-3-fluoropyridine-2-carbonyl}-L-glutamic acid, Phosphoribosylglycinamide formyltransferase | | 著者 | Wong-Roushar, J, Dann III, C.E. | | 登録日 | 2022-12-05 | | 公開日 | 2023-05-10 | | 最終更新日 | 2023-05-31 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Multitargeted 6-Substituted Thieno[2,3- d ]pyrimidines as Folate Receptor-Selective Anticancer Agents that Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism.
Acs Pharmacol Transl Sci, 6, 2023
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1MZL
 | | MAIZE NONSPECIFIC LIPID TRANSFER PROTEIN | | 分子名称: | MAIZE NONSPECIFIC LIPID TRANSFER PROTEIN | | 著者 | Shin, D.H, Lee, J.Y, Hwang, K.Y, Kim, K.K, Suh, S.W. | | 登録日 | 1995-01-26 | | 公開日 | 1996-08-01 | | 最終更新日 | 2018-03-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-resolution crystal structure of the non-specific lipid-transfer protein from maize seedlings.
Structure, 3, 1995
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3QIY
 | | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1 | | 分子名称: | 1,2-ETHANEDIOL, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, Botulinum neurotoxin type A, ... | | 著者 | Thompson, A.A, Han, G.W, Stevens, R.C. | | 登録日 | 2011-01-28 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
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3QJ0
 | | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3 | | 分子名称: | (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ... | | 著者 | Thompson, A.A, Han, G.W, Stevens, R.C. | | 登録日 | 2011-01-28 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | | 主引用文献 | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
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3QIZ
 | | Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2 | | 分子名称: | (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, Botulinum neurotoxin type A, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Thompson, A.A, Han, G.W, Stevens, R.C. | | 登録日 | 2011-01-28 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
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3QIX
 | | Crystal Structure of BoNT/A LC with Zinc bound | | 分子名称: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION | | 著者 | Thompson, A.A, Han, G.W, Stevens, R.C. | | 登録日 | 2011-01-28 | | 公開日 | 2011-04-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.413 Å) | | 主引用文献 | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility.
Biochemistry, 50, 2011
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5UV5
 | | Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | | 分子名称: | 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | | 著者 | Kirby, K.A, Sarafianos, S.G. | | 登録日 | 2017-02-19 | | 公開日 | 2017-08-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
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3S22
 | | AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with an inhibitor | | 分子名称: | Beta-lactamase, CHLORIDE ION, [(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid | | 著者 | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | | 登録日 | 2011-05-16 | | 公開日 | 2011-06-29 | | 最終更新日 | 2013-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
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3S1Y
 | | AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with a beta-lactamase inhibitor | | 分子名称: | Beta-lactamase, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | | 著者 | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | | 登録日 | 2011-05-16 | | 公開日 | 2011-06-29 | | 最終更新日 | 2013-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712
Bioorg.Med.Chem.Lett., 21, 2011
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