4PWD
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![BU of 4pwd by Molmil](/molmil-images/mine/4pwd) | Crystal structure of HIV-1 reverse transcriptase in complex with bulge-RNA/DNA and Nevirapine | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*AP*CP*AP*GP*GP*GP*AP*CP*UP*GP*U)-3', ... | 著者 | Das, K, Martinez, S.E, Arnold, E. | 登録日 | 2014-03-19 | 公開日 | 2014-06-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage. Nucleic Acids Res., 42, 2014
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3KLF
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![BU of 3klf by Molmil](/molmil-images/mine/3klf) | Crystal structure of wild-type HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA | 分子名称: | DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), GLYCEROL, ... | 著者 | Tu, X, Das, K, Sarafianos, S.G, Arnold, E. | 登録日 | 2009-11-07 | 公開日 | 2010-09-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
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3KLE
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![BU of 3kle by Molmil](/molmil-images/mine/3kle) | Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA | 分子名称: | DNA (25-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), GLYCEROL, ... | 著者 | Tu, X, Das, K, Sarafianos, S.G, Arnold, E. | 登録日 | 2009-11-07 | 公開日 | 2010-09-22 | 最終更新日 | 2021-10-13 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
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3KLG
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![BU of 3klg by Molmil](/molmil-images/mine/3klg) | Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to pre-translocation AZTMP-Terminated DNA (COMPLEX N) | 分子名称: | DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), Reverse transcriptase/ribonuclease H, ... | 著者 | Tu, X, Sarafianos, S.G, Arnold, E. | 登録日 | 2009-11-07 | 公開日 | 2010-09-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | 主引用文献 | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
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3KLH
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![BU of 3klh by Molmil](/molmil-images/mine/3klh) | Crystal structure of AZT-Resistant HIV-1 Reverse Transcriptase crosslinked to post-translocation AZTMP-Terminated DNA (COMPLEX P) | 分子名称: | DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), MAGNESIUM ION, ... | 著者 | Tu, X, Sarafianos, S.G, Arnold, E. | 登録日 | 2009-11-07 | 公開日 | 2010-09-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
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7JUM
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![BU of 7jum by Molmil](/molmil-images/mine/7jum) | |
3KLI
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![BU of 3kli by Molmil](/molmil-images/mine/3kli) | |
7L0F
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![BU of 7l0f by Molmil](/molmil-images/mine/7l0f) | Monobody 12VC3 Bound to HRAS(WT) | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ... | 著者 | Teng, K.W, Hattori, T, Tsai, S, Koide, S. | 登録日 | 2020-12-11 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Selective and noncovalent targeting of RAS mutants for inhibition and degradation. Nat Commun, 12, 2021
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7L0G
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![BU of 7l0g by Molmil](/molmil-images/mine/7l0g) | Monobody 12VC1 Bound to HRAS(G12C) | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ... | 著者 | Teng, K.W, Hattori, T, Tsai, S, Koide, S. | 登録日 | 2020-12-11 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Selective and noncovalent targeting of RAS mutants for inhibition and degradation. Nat Commun, 12, 2021
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3HQY
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![BU of 3hqy by Molmil](/molmil-images/mine/3hqy) | Discovery of novel inhibitors of PDE10A | 分子名称: | 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline, MAGNESIUM ION, SULFATE ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2009-06-08 | 公開日 | 2009-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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3HQW
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![BU of 3hqw by Molmil](/molmil-images/mine/3hqw) | Discovery of novel inhibitors of PDE10A | 分子名称: | 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2009-06-08 | 公開日 | 2009-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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3JSM
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![BU of 3jsm by Molmil](/molmil-images/mine/3jsm) | K65R mutant HIV-1 reverse transcriptase cross-linked to DS-DNA and complexed with tenofovir-diphosphate as the incoming nucleotide substrate | 分子名称: | DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*A*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ... | 著者 | Das, K, Arnold, E. | 登録日 | 2009-09-10 | 公開日 | 2009-09-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural basis for the role of the K65r mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance. J.Biol.Chem., 284, 2009
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3JYT
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![BU of 3jyt by Molmil](/molmil-images/mine/3jyt) | K65R mutant HIV-1 reverse transcriptase cross-linked to DS-DNA and complexed with DATP as the incoming nucleotide substrate | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*A*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... | 著者 | Das, K, Arnold, E. | 登録日 | 2009-09-22 | 公開日 | 2009-10-06 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structural basis for the role of the K65r mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance. J.Biol.Chem., 284, 2009
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3HR1
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![BU of 3hr1 by Molmil](/molmil-images/mine/3hr1) | Discovery of novel inhibitors of PDE10A | 分子名称: | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2009-06-08 | 公開日 | 2009-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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3I6C
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![BU of 3i6c by Molmil](/molmil-images/mine/3i6c) | |
3IKD
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![BU of 3ikd by Molmil](/molmil-images/mine/3ikd) | Structure-Based Design of Novel PIN1 Inhibitors (I) | 分子名称: | (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Matthews, D, Greasley, S, Ferre, R, Parge, H. | 登録日 | 2009-08-05 | 公開日 | 2009-09-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design of novel human Pin1 inhibitors (I). Bioorg.Med.Chem.Lett., 19, 2009
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3HQZ
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![BU of 3hqz by Molmil](/molmil-images/mine/3hqz) | Discovery of novel inhibitors of PDE10A | 分子名称: | 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2009-06-08 | 公開日 | 2009-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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3IK8
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![BU of 3ik8 by Molmil](/molmil-images/mine/3ik8) | |
3IKG
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![BU of 3ikg by Molmil](/molmil-images/mine/3ikg) | Structure-Based Design of Novel PIN1 Inhibitors (I) | 分子名称: | (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 著者 | Parge, H, Ferre, R.A, Greasley, S, Matthews, D. | 登録日 | 2009-08-05 | 公開日 | 2009-09-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structure-based design of novel human Pin1 inhibitors (I). Bioorg.Med.Chem.Lett., 19, 2009
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5UWF
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![BU of 5uwf by Molmil](/molmil-images/mine/5uwf) | Crystal structure of human PDE10A in complex with inhibitor 16d | 分子名称: | 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K. | 登録日 | 2017-02-21 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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8HVX
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![BU of 8hvx by Molmil](/molmil-images/mine/8hvx) | |
5UP0
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![BU of 5up0 by Molmil](/molmil-images/mine/5up0) | Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | 分子名称: | 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | 著者 | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | 登録日 | 2017-02-01 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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8IG4
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![BU of 8ig4 by Molmil](/molmil-images/mine/8ig4) | |
7EHS
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![BU of 7ehs by Molmil](/molmil-images/mine/7ehs) | Levansucrase from Brenneria sp. EniD 312 | 分子名称: | GLYCEROL, Levansucrase, NONAETHYLENE GLYCOL, ... | 著者 | Xu, W, Ni, D.W, Hou, X.D, Rao, Y.J, Pijning, T, Guskov, A, Mu, W.M. | 登録日 | 2021-03-30 | 公開日 | 2022-04-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure of Levansucrase from the Gram-Negative Bacterium Brenneria Provides Insights into Its Product Size Specificity. J.Agric.Food Chem., 70, 2022
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7EHT
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![BU of 7eht by Molmil](/molmil-images/mine/7eht) | Levansucrase from Brenneria sp. EniD 312 | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GLYCEROL, Levansucrase, ... | 著者 | Xu, W, Hou, X.D, Rao, Y.J, Pijning, T, Guskov, A, Mu, W.M. | 登録日 | 2021-03-30 | 公開日 | 2022-04-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal Structure of Levansucrase from the Gram-Negative Bacterium Brenneria Provides Insights into Its Product Size Specificity. J.Agric.Food Chem., 70, 2022
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