4LR6
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![BU of 4lr6 by Molmil](/molmil-images/mine/4lr6) | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | 分子名称: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | 著者 | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | 登録日 | 2013-07-19 | 公開日 | 2013-08-07 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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4LRG
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![BU of 4lrg by Molmil](/molmil-images/mine/4lrg) | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | 著者 | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | 登録日 | 2013-07-19 | 公開日 | 2013-08-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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6ALV
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![BU of 6alv by Molmil](/molmil-images/mine/6alv) | Crystal structure of H107A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant (no CuH bound) | 分子名称: | AZIDE ION, COPPER (II) ION, GLYCEROL, ... | 著者 | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | 登録日 | 2017-08-08 | 公開日 | 2018-07-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
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6AN3
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![BU of 6an3 by Molmil](/molmil-images/mine/6an3) | Crystal structure of H172A-peptidylglycine alpha-hydroxylating monooxygenase (PHM) mutant soaked with peptide (no CuH bound, no peptide bound) | 分子名称: | COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Peptidyl-glycine alpha-amidating monooxygenase | 著者 | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | 登録日 | 2017-08-11 | 公開日 | 2018-07-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
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6AO6
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![BU of 6ao6 by Molmil](/molmil-images/mine/6ao6) | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) | 分子名称: | COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ... | 著者 | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | 登録日 | 2017-08-15 | 公開日 | 2018-07-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
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4Z1S
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![BU of 4z1s by Molmil](/molmil-images/mine/4z1s) | Crystal structure of the first bromodomain of human BRD4 with benzotriazolo-diazepine scaffold | 分子名称: | 5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine, Bromodomain-containing protein 4 | 著者 | Setser, J.W, Poy, F, Tang, Y, Bellon, S.F. | 登録日 | 2015-03-27 | 公開日 | 2015-04-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains. Acs Med.Chem.Lett., 7, 2016
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7UUX
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![BU of 7uux by Molmil](/molmil-images/mine/7uux) | ATP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ... | 著者 | Wu, S, Gabelli, S.B, Sohn, J. | 登録日 | 2022-04-29 | 公開日 | 2023-05-03 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
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7V0W
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![BU of 7v0w by Molmil](/molmil-images/mine/7v0w) | Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2,5 )pA | 分子名称: | ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Wu, S, Gabelli, S.B, Sohn, J. | 登録日 | 2022-05-11 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | 主引用文献 | The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024
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6AY0
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![BU of 6ay0 by Molmil](/molmil-images/mine/6ay0) | Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide | 分子名称: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | 著者 | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | 登録日 | 2017-09-07 | 公開日 | 2018-07-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
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6AMP
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![BU of 6amp by Molmil](/molmil-images/mine/6amp) | Crystal structure of H172A PHM (CuH absent, CuM present) | 分子名称: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | 著者 | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | 登録日 | 2017-08-10 | 公開日 | 2018-07-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
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3ID0
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![BU of 3id0 by Molmil](/molmil-images/mine/3id0) | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 3-Fluoro-1-(2-hydroxy-2,2-bisphosphono-ethyl)pyridinium | 分子名称: | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | 登録日 | 2009-07-19 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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3IBA
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![BU of 3iba by Molmil](/molmil-images/mine/3iba) | Crystal structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with zoledronate, IPP and Mg2+ | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | 登録日 | 2009-07-15 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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3ICK
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![BU of 3ick by Molmil](/molmil-images/mine/3ick) | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with minodronate and isopentenyl disphosphate | 分子名称: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETIC ACID, ... | 著者 | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | 登録日 | 2009-07-17 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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3ICN
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![BU of 3icn by Molmil](/molmil-images/mine/3icn) | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate and 3-Fluoro-1-(2-hydroxy-2,2-bis-phosphono-ethyl)-pyridinium | 分子名称: | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | 著者 | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | 登録日 | 2009-07-17 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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3ICM
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![BU of 3icm by Molmil](/molmil-images/mine/3icm) | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate, Mg2+ and 1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3-phenyl-pyridinium | 分子名称: | 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | 著者 | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | 登録日 | 2009-07-17 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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6WBJ
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![BU of 6wbj by Molmil](/molmil-images/mine/6wbj) | High resolution crystal structure of mRECK(CC4) in fusion with engineered MBP | 分子名称: | GLYCEROL, Maltodextrin-binding protein,Reversion-inducing cysteine-rich protein with Kazal motifs fusion, SULFATE ION, ... | 著者 | Chang, T.H, Hsieh, F.L, Gabelli, S.B, Nathans, J. | 登録日 | 2020-03-26 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | 主引用文献 | Structure of the RECK CC domain, an evolutionary anomaly. Proc.Natl.Acad.Sci.USA, 117, 2020
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1N8Y
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![BU of 1n8y by Molmil](/molmil-images/mine/1n8y) | Crystal structure of the extracellular region of rat HER2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, protooncoprotein | 著者 | Cho, H.-S, Mason, K, Ramyar, K.X, Stanley, A.M, Gabelli, S.B, Denney Jr, D.W, Leahy, D.J. | 登録日 | 2002-11-21 | 公開日 | 2003-02-18 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure of the Extracellular Region of HER2 Alone and in complex with the Herceptin Fab Nature, 421, 2003
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4JZX
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![BU of 4jzx by Molmil](/molmil-images/mine/4jzx) | Crystal Structure of Leshmaniasis major Farnesyl diphosphate synthase in complex with 3-BUTYL-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, IPP and Ca2+ | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-butyl-1-(2,2-diphosphonoethyl)pyridinium, CALCIUM ION, ... | 著者 | Aripirala, S, Gabelli, S, Amzel, L.M. | 登録日 | 2013-04-03 | 公開日 | 2014-03-05 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and thermodynamic basis of the inhibition of Leishmania major farnesyl diphosphate synthase by nitrogen-containing bisphosphonates. Acta Crystallogr.,Sect.D, 70, 2014
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3ICZ
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![BU of 3icz by Molmil](/molmil-images/mine/3icz) | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with 1-(2,2-Bis-phosphono-ethyl)-3-butyl-pyridinium and isopentenyl pyrophosphate | 分子名称: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, ... | 著者 | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | 登録日 | 2009-07-19 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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1N8Z
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![BU of 1n8z by Molmil](/molmil-images/mine/1n8z) | Crystal structure of extracellular domain of human HER2 complexed with Herceptin Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Herceptin Fab (antibody) - heavy chain, Herceptin Fab (antibody) - light chain, ... | 著者 | Cho, H.-S, Mason, K, Ramyar, K.X, Stanley, A.M, Gabelli, S.B, Denney Jr, D.W, Leahy, D.J. | 登録日 | 2002-11-21 | 公開日 | 2003-02-18 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Structure of the Extracellular Region of HER2 Alone and in Complex with the Herceptin Fab Nature, 421, 2003
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1FAR
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![BU of 1far by Molmil](/molmil-images/mine/1far) | |
1FAQ
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![BU of 1faq by Molmil](/molmil-images/mine/1faq) | |
6WBH
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![BU of 6wbh by Molmil](/molmil-images/mine/6wbh) | Crystal structure of mRECK(CC4) in fusion with engineered MBP at medium resolution | 分子名称: | CHLORIDE ION, Maltodextrin-binding protein,Reversion-inducing cysteine-rich protein with Kazal motifs fusion, ZINC ION, ... | 著者 | Chang, T.H, Hsieh, F.L, Gabelli, S.B, Nathans, J. | 登録日 | 2020-03-26 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.455 Å) | 主引用文献 | Structure of the RECK CC domain, an evolutionary anomaly. Proc.Natl.Acad.Sci.USA, 117, 2020
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3JBI
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![BU of 3jbi by Molmil](/molmil-images/mine/3jbi) | MDFF model of the vinculin tail domain bound to F-actin | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Kim, L.Y, Thompson, P.M, Lee, H.T, Pershad, M, Campbell, S.L, Alushin, G.M. | 登録日 | 2015-09-02 | 公開日 | 2015-11-04 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (8.5 Å) | 主引用文献 | The Structural Basis of Actin Organization by Vinculin and Metavinculin. J.Mol.Biol., 428, 2016
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3JBK
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![BU of 3jbk by Molmil](/molmil-images/mine/3jbk) | Cryo-EM reconstruction of the metavinculin-actin interface | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Kim, L.Y, Thompson, P.M, Lee, H.T, Pershad, M, Campbell, S.L, Alushin, G.M. | 登録日 | 2015-09-03 | 公開日 | 2015-11-04 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (8.2 Å) | 主引用文献 | The Structural Basis of Actin Organization by Vinculin and Metavinculin. J.Mol.Biol., 428, 2016
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