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7K4H
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BU of 7k4h by Molmil
Human Arginase 1 in complex with compound 04.
分子名称: 3-[(1~{R},5~{S},8~{R})-5-carboxy-2,6-diazabicyclo[3.2.1]octan-8-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K4J
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BU of 7k4j by Molmil
Human Arginase 1 in complex with compound 51.
分子名称: 3-[(1~{S},2~{S},5~{R})-2-carboxy-3,6-diazabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K4G
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BU of 7k4g by Molmil
Human Arginase 1 in complex with compound 01.
分子名称: 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K4K
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BU of 7k4k by Molmil
Human Arginase 1 in complex with compound 52.
分子名称: 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5FDL
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BU of 5fdl by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899
分子名称: P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate
著者Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M.
登録日2015-12-16
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
5GUF
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BU of 5guf by Molmil
Structural insight into an intramembrane enzyme for archaeal membrane lipids biosynthesis
分子名称: CDP-archaeol synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Cheng, W, Ren, S.
登録日2016-08-29
公開日2017-10-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.397 Å)
主引用文献Structural and mechanistic insights into the biosynthesis of CDP-archaeol in membranes.
Cell Res., 27, 2017
2BM0
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BU of 2bm0 by Molmil
Ribosomal elongation factor G (EF-G) Fusidic acid resistant mutant T84A
分子名称: ELONGATION FACTOR G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Hansson, S, Singh, R, Gudkov, A.T, Liljas, A, Logan, D.T.
登録日2005-03-09
公開日2005-05-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights Into Fusidic Acid Resistance and Sensitivity in EF-G
J.Mol.Biol., 348, 2005
2BM1
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BU of 2bm1 by Molmil
Ribosomal elongation factor G (EF-G) Fusidic acid resistant mutant G16V
分子名称: ELONGATION FACTOR G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Hansson, S, Singh, R, Gudkov, A.T, Liljas, A, Logan, D.T.
登録日2005-03-09
公開日2005-05-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights Into Fusidic Acid Resistance and Sensitivity in EF-G
J.Mol.Biol., 348, 2005
3HEK
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BU of 3hek by Molmil
HSP90 N-terminal domain in complex with 1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium
分子名称: Heat shock protein HSP 90-alpha, PHOSPHATE ION, [(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone
著者Gajiwala, K.S.
登録日2009-05-08
公開日2009-09-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Solution-phase parallel synthesis of Hsp90 inhibitors
J.Comb.Chem., 11
2BV3
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BU of 2bv3 by Molmil
Crystal structure of a mutant elongation factor G trapped with a GTP analogue
分子名称: ELONGATION FACTOR G, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Hansson, S, Singh, R, Gudkov, A.T, Liljas, A, Logan, D.T.
登録日2005-06-22
公開日2005-08-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of a Mutant Elongation Factor G Trapped with a GTP Analogue.
FEBS Lett., 579, 2005
2V1W
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BU of 2v1w by Molmil
Crystal structure of human LIM protein RIL (PDLIM4) PDZ domain bound to the C-terminal peptide of human alpha-actinin-1
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PDZ AND LIM DOMAIN PROTEIN 4, ...
著者Soundararajan, M, Shrestha, L, Pike, A.C.W, Salah, E, Burgess-Brown, N, Elkins, J, Umeano, C, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D.
登録日2007-05-30
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms.
Protein Sci., 19, 2010
2UZC
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BU of 2uzc by Molmil
Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5
著者Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D.
登録日2007-04-27
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms.
Protein Sci., 19, 2010
8XOU
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BU of 8xou by Molmil
Prohead portal vertex of bacteriophage lambda
分子名称: Major capsid protein, Portal protein B
著者Wang, J.W, Gu, Z.W.
登録日2024-01-02
公開日2024-04-10
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (5.58 Å)
主引用文献Structural morphing in the viral portal vertex of bacteriophage lambda.
J.Virol., 98, 2024
8XQB
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BU of 8xqb by Molmil
Mature virion portal vertex of bacteriophage lambda
分子名称: Capsid decoration protein, Head completion protein, Head-tail connector protein FII, ...
著者Wang, J.W, Gu, Z.W.
登録日2024-01-05
公開日2024-04-10
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.07 Å)
主引用文献Structural morphing in the viral portal vertex of bacteriophage lambda.
J.Virol., 98, 2024
5L2E
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BU of 5l2e by Molmil
Crystal structure of rat Glutamate receptor delta-2 extracellular domain
分子名称: Glutamate receptor ionotropic, delta-2,Glutamate receptor ionotropic, delta-2
著者Cheng, S, Ozkan, E.
登録日2016-08-01
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.152 Å)
主引用文献Conformational Plasticity in the Transsynaptic Neurexin-Cerebellin-Glutamate Receptor Adhesion Complex.
Structure, 24, 2016
5KWR
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BU of 5kwr by Molmil
Crystal structure of rat Cerebellin-1
分子名称: Cerebellin-1, alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Cheng, S, Ozkan, E.
登録日2016-07-18
公開日2016-08-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Conformational Plasticity in the Transsynaptic Neurexin-Cerebellin-Glutamate Receptor Adhesion Complex.
Structure, 24, 2016
8XPM
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BU of 8xpm by Molmil
Mature virion portal of phage lambda with DNA
分子名称: DNA (104-MER), DNA (92-MER), Head completion protein, ...
著者Wang, J.W, Gu, Z.W.
登録日2024-01-04
公開日2024-04-10
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural morphing in the viral portal vertex of bacteriophage lambda.
J.Virol., 98, 2024
8XOT
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BU of 8xot by Molmil
Prohead portal of bacteriophage lambda
分子名称: Portal protein B
著者Wang, J.W, Gu, Z.W.
登録日2024-01-02
公開日2024-04-10
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Structural morphing in the viral portal vertex of bacteriophage lambda.
J.Virol., 98, 2024
8XOW
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BU of 8xow by Molmil
Mature virion portal of bacteriophage lambda
分子名称: Head completion protein, Head-tail connector protein FII, Portal protein B, ...
著者Wang, J.W, Gu, Z.W.
登録日2024-01-02
公開日2024-04-10
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structural morphing in the viral portal vertex of bacteriophage lambda.
J.Virol., 98, 2024
3FD5
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BU of 3fd5 by Molmil
Crystal structure of human selenophosphate synthetase 1 complex with AMPCP
分子名称: MAGNESIUM ION, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Wang, K.T.
登録日2008-11-25
公開日2009-09-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of catalytic intermediates of human selenophosphate synthetase 1.
J.Mol.Biol., 390, 2009
3FD6
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BU of 3fd6 by Molmil
Crystal structure of human selenophosphate synthetase 1 complex with ADP and phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Wang, K.T.
登録日2008-11-25
公開日2009-09-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of catalytic intermediates of human selenophosphate synthetase 1.
J.Mol.Biol., 390, 2009
8J5X
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BU of 8j5x by Molmil
The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.09192252 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J5W
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BU of 8j5w by Molmil
The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.28041458 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J61
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BU of 8j61 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.05065274 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
8J63
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BU of 8j63 by Molmil
The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
分子名称: 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor
著者Zhang, Z.M, Wang, Y.J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.0005 Å)
主引用文献Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023

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