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PDB: 1594 件
1JRG
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Crystal Structure of the R3 form of Pectate Lyase A, Erwinia chrysanthemi
分子名称: Pectate lyase, SULFATE ION
著者Thomas, L.M, Doan, C, Oliver, R.L, Yoder, M.D.
登録日2001-08-13
公開日2002-06-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of pectate lyase A: comparison to other isoforms.
Acta Crystallogr.,Sect.D, 58, 2002
5M9S
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BU of 5m9s by Molmil
Human angiogenin ALS variant V103I
分子名称: Angiogenin, D(-)-TARTARIC ACID
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-02
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
1XNB
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BU of 1xnb by Molmil
HIGH-RESOLUTION STRUCTURES OF XYLANASES FROM B. CIRCULANS AND T. HARZIANUM IDENTIFY A NEW FOLDING PATTERN AND IMPLICATIONS FOR THE ATOMIC BASIS OF THE CATALYSIS
分子名称: SULFATE ION, XYLANASE
著者Campbell, R.L.
登録日1994-06-01
公開日1994-12-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献High-Resolution Structures of Xylanases from B. Circulans and T. Harzianum Identify a New Folding Pattern and Implications for the Atomic Basis of the Catalysis
To be Published
5M9V
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BU of 5m9v by Molmil
Human angiogenin PD/ALS variant R121C
分子名称: Angiogenin, GLUTATHIONE, L(+)-TARTARIC ACID
著者Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R.
登録日2016-11-02
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
7KD4
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BU of 7kd4 by Molmil
Structure of the C-terminal domain of the Menangle virus phosphoprotein (residues 329 -388), fused to MBP. Space group P21.
分子名称: Maltodextrin-binding protein and Phosphoprotein fusion protein, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Webby, M.N, Kingston, R.L.
登録日2020-10-08
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.312 Å)
主引用文献Structural Analysis of the Menangle Virus P Protein Reveals a Soft Boundary between Ordered and Disordered Regions.
Viruses, 13, 2021
7K4I
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Human Arginase 1 in complex with compound 06.
分子名称: 3-[(1~{S},2~{S},5~{R})-2-carboxy-6-thia-3-azabicyclo[3.2.0]heptan-1-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5MSL
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Solution structure of the B. subtilis anti-sigma-F factor, FIN
分子名称: Anti-sigma-F factor Fin, ZINC ION
著者Martinez-Lumbreras, S, Alfano, C, Isaacson, R.L.
登録日2017-01-05
公開日2017-06-21
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A novel RNA polymerase-binding protein that interacts with a sigma-factor docking site.
Mol. Microbiol., 105, 2017
7KD5
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BU of 7kd5 by Molmil
Structure of the C-terminal domain of the Menangle virus phosphoprotein (residues 329 -388), fused to MBP. Space group P212121
分子名称: 1,2-ETHANEDIOL, Maltodextrin-binding protein and Phosphoprotein fusion protein, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ...
著者Webby, M.N, Kingston, R.L.
登録日2020-10-08
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Structural Analysis of the Menangle Virus P Protein Reveals a Soft Boundary between Ordered and Disordered Regions.
Viruses, 13, 2021
7K4G
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BU of 7k4g by Molmil
Human Arginase 1 in complex with compound 01.
分子名称: 3-[(2~{S},3~{R})-2-carboxypyrrolidin-3-yl]propyl-$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
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-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
著者Palte, R.L.
登録日2020-09-15
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7K4K
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Human Arginase 1 in complex with compound 52.
分子名称: 3-[(3~{a}~{S},4~{S},6~{a}~{R})-4-carboxy-2,3,4,5,6,6~{a}-hexahydro-1~{H}-pyrrolo[2,3-c]pyrrol-3~{a}-yl]propyl-$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
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
1YEW
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BU of 1yew by Molmil
Crystal structure of particulate methane monooxygenase
分子名称: COPPER (II) ION, DINUCLEAR COPPER ION, ZINC ION, ...
著者Lieberman, R.L, Rosenzweig, A.C.
登録日2004-12-28
公開日2005-02-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Crystal structure of a membrane-bound metalloenzyme that catalyses the biological oxidation of methane.
Nature, 434, 2005
8E80
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Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 14
分子名称: 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
8E81
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Structure of LRRK2-CHK1 10-pt. mutant complex with heteroaryl-1H-indazole LRRK2 inhibitor 25
分子名称: (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile, Serine/threonine-protein kinase Chk1
著者Palte, R.L.
登録日2022-08-25
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Optimization of Potent, Selective, and Brain-Penetrant 1-Heteroaryl-1 H -Indazole LRRK2 Kinase Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem., 65, 2022
5T9U
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Discovery of a Potent Cyclophilin Inhibitor (Compound 3) based on Structural Simplification of Sanglifehrin A
分子名称: 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A
著者Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B.
登録日2016-09-09
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
5T9Z
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Discovery of a Potent Cyclophilin Inhibitor (Compound 6) based on Structural Simplification of Sanglifehrin A
分子名称: 11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
著者Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B.
登録日2016-09-09
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
7KSL
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BU of 7ksl by Molmil
Substrate-free human mitochondrial LONP1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
登録日2020-11-23
公開日2020-12-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
2LUZ
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BU of 2luz by Molmil
Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12
分子名称: CalU16
著者Ramelot, T.A, Yang, Y, Lee, H, Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Wrobel, R.L, Bingman, C.A, Singh, S, Thorson, J.S, Prestegard, J.H, Montelione, G.T, Phillips Jr, G.N, Kennedy, M.A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG)
登録日2012-06-22
公開日2012-10-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
8E5N
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BU of 8e5n by Molmil
Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 10
分子名称: 1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, Arginase-1, MANGANESE (II) ION
著者Palte, R.L, Gathiaka, S.
登録日2022-08-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.538 Å)
主引用文献Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods.
Bioorg.Med.Chem.Lett., 84, 2023
8E5M
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Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 6
分子名称: 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, Arginase-1, MANGANESE (II) ION
著者Palte, R.L, Gathiaka, S.
登録日2022-08-22
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods.
Bioorg.Med.Chem.Lett., 84, 2023
5TA2
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Discovery of a Potent Cyclophilin Inhibitor (Compound 7) based on Structural Simplification of Sanglifehrin A
分子名称: 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
著者Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B.
登録日2016-09-09
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
7KSM
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Human mitochondrial LONP1 with endogenous substrate
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Lon protease homolog, ...
著者Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
登録日2020-11-23
公開日2020-12-02
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
5TA4
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Discovery of a Potent Cyclophilin Inhibitor (Compound 8) based on Structural Simplification of Sanglifehrin A
分子名称: 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A, SULFATE ION
著者Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B.
登録日2016-09-09
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
7KRZ
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Human mitochondrial LONP1 in complex with Bortezomib
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Endogenous co-purified substrate, ...
著者Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
登録日2020-11-20
公開日2021-02-24
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021

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