1KMQ
| Crystal Structure of a Constitutively Activated RhoA Mutant (Q63L) | 分子名称: | 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Longenecker, K, Read, P, Lin, S.-K, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S. | 登録日 | 2001-12-17 | 公開日 | 2003-05-06 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure of a constitutively activated RhoA mutant (Q63L) at 1.55 A resolution. Acta Crystallogr.,Sect.D, 59, 2003
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1KMT
| Crystal structure of RhoGDI Glu(154,155)Ala mutant | 分子名称: | Rho GDP-dissociation inhibitor 1 | 著者 | Mateja, A, Devedjiev, Y, Krowarsh, D, Longenecker, K, Dauter, Z, Otlewski, J, Derewenda, Z.S. | 登録日 | 2001-12-17 | 公開日 | 2002-12-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The impact of Glu-->Ala and Glu-->Asp mutations on the crystallization properties of RhoGDI: the structure of RhoGDI at 1.3 A resolution. Acta Crystallogr.,Sect.D, 58, 2002
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1CC0
| CRYSTAL STRUCTURE OF THE RHOA.GDP-RHOGDI COMPLEX | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, rho GDP dissociation inhibitor alpha, ... | 著者 | Longenecker, K.L, Read, P, Derewenda, U, Dauter, Z, Garrard, S, Walker, L, Somlyo, A.V, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S. | 登録日 | 1999-03-03 | 公開日 | 2000-01-07 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (5 Å) | 主引用文献 | How RhoGDI binds Rho. Acta Crystallogr.,Sect.D, 55, 1999
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6E6J
| BRD2_Bromodomain2 complex with inhibitor 744 | 分子名称: | Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | 著者 | Longenecker, K.L, Park, C.H, Bigelow, L. | 登録日 | 2018-07-25 | 公開日 | 2019-07-31 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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7UAD
| Crystal structure of human PTPN2 with inhibitor ABBV-CLS-484 | 分子名称: | 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Tyrosine-protein phosphatase non-receptor type 2 | 著者 | Longenecker, K.L, Qiu, W, Sun, Q, Frost, J.M. | 登録日 | 2022-03-12 | 公開日 | 2023-07-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.044 Å) | 主引用文献 | The PTPN2/PTPN1 inhibitor ABBV-CLS-484 unleashes potent anti-tumour immunity. Nature, 622, 2023
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2G63
| Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 24b | 分子名称: | Dipeptidyl peptidase 4, METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE | 著者 | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | 登録日 | 2006-02-24 | 公開日 | 2006-07-04 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. J.Med.Chem., 49, 2006
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2G5T
| Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag | 分子名称: | 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID, Dipeptidyl peptidase 4 | 著者 | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | 登録日 | 2006-02-23 | 公開日 | 2006-07-04 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. J.Med.Chem., 49, 2006
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6ONY
| BRD2_Bromodomain1 complex with inhibitor 744 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | 著者 | Longenecker, K.L, Bigelow, L. | 登録日 | 2019-04-22 | 公開日 | 2020-01-29 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
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7LAW
| crystal structure of GITR complex with GITR-L | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18 | 著者 | Longenecker, K.L, Rogers, B, Bigelow, L, Judge, R.A, Alvarez, H. | 登録日 | 2021-01-07 | 公開日 | 2022-03-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.752 Å) | 主引用文献 | An anti-PD-1-GITR-L bispecific agonist induces GITR clustering-mediated T cell activation for cancer immunotherapy. Nat Cancer, 3, 2022
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2G5P
| Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac | 分子名称: | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID, Dipeptidyl peptidase 4 | 著者 | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | 登録日 | 2006-02-23 | 公開日 | 2006-07-04 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. J.Med.Chem., 49, 2006
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2OAG
| Crystal structure of human dipeptidyl peptidase IV (DPPIV) with pyrrolidine-constrained phenethylamine 29g | 分子名称: | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE, Dipeptidyl peptidase 4 | 著者 | Backes, B.J, Longenecker, K.L, Hamilton, G.L, Stewart, K.D, Lai, C, Kopecka, H. | 登録日 | 2006-12-15 | 公開日 | 2007-09-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit. Bioorg.Med.Chem.Lett., 17, 2007
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2IRW
| Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor | 分子名称: | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Longenecker, K.L, Patel, J.R, Russell, J, Qin, W. | 登録日 | 2006-10-16 | 公開日 | 2007-01-23 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 17, 2007
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2OAE
| Crystal structure of rat dipeptidyl peptidase (DPPIV) with thiazole-based peptide mimetic #31 | 分子名称: | Dipeptidyl peptidase 4, N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE, SULFATE ION | 著者 | Longenecker, K.L, Shuai, Q, Patel, J, Wiedeman, P. | 登録日 | 2006-12-15 | 公開日 | 2007-02-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit. Bioorg.Med.Chem.Lett., 17, 2007
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2ILT
| Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor | 分子名称: | 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T. | 登録日 | 2006-10-03 | 公開日 | 2007-04-03 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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5TFR
| Crystal structure of Zika Virus NS5 protein | 分子名称: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | 著者 | Longenecker, K.L, Upadhyay, A.K. | 登録日 | 2016-09-26 | 公開日 | 2016-10-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Crystal structure of full-length Zika virus NS5 protein reveals a conformation similar to Japanese encephalitis virus NS5. Acta Crystallogr F Struct Biol Commun, 73, 2017
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2OQI
| Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine | 分子名称: | (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP) | 著者 | Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D, Backes, B.J, Lai, C, Lubben, T.H, Ballaron, S.J, Beno, D.W, Kempf-Grote, A.J, Sham, H.L, Trevillyan, J.M. | 登録日 | 2007-01-31 | 公開日 | 2007-04-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors. J.Med.Chem., 50, 2007
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2OQV
| Human Dipeptidyl Peptidase IV (DPP4) with piperidine-constrained phenethylamine | 分子名称: | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) | 著者 | Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D. | 登録日 | 2007-02-01 | 公開日 | 2007-04-24 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors. J.Med.Chem., 50, 2007
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8VKZ
| Crystal structure of Glucocorticoid Receptor in complex with an inhibitor | 分子名称: | (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2 | 著者 | Judge, R.A, Hobson, A.D. | 登録日 | 2024-01-10 | 公開日 | 2024-01-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.133 Å) | 主引用文献 | Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties. Rsc Med Chem, 15, 2024
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2I78
| Crystal structure of human dipeptidyl peptidase IV (DPP IV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhibitor | 分子名称: | (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE, Dipeptidyl peptidase IV | 著者 | Longenecker, K.L, Pei, Z, Li, X. | 登録日 | 2006-08-30 | 公開日 | 2007-10-09 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of Cyclohexene-constrained Phenethylamine ABT-341, a Highly Potent, Selective, Orally Bioavailable, Safe and Potential Next-generation Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes To be Published
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6VIZ
| BRD4_Bromodomain1 complex with pyrrolopyridone compound 27 | 分子名称: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Longenecker, K.L, Park, C.H, Qiu, W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.391 Å) | 主引用文献 | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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6VIW
| BRD4_Bromodomain1 complex with pyrrolopyridone compound 18 | 分子名称: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Longenecker, K.L, Park, C.H, Qiu, W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.429 Å) | 主引用文献 | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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6VIX
| BRD4_Bromodomain2 complex with pyrrolopyridone compound 18 | 分子名称: | 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Longenecker, K.L, Park, C.H, Qiu, W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.116 Å) | 主引用文献 | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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6VIY
| BRD2_Bromodomain2 complex with pyrrolopyridone compound 27 | 分子名称: | 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2 | 著者 | Longenecker, K.L, Park, C.H, Qiu, W. | 登録日 | 2020-01-14 | 公開日 | 2020-05-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | 主引用文献 | Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain. J.Med.Chem., 63, 2020
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