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PDB: 1303 件

5KB0
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Crystal Structure of a Tris-thiolate Pb(II) Complex in a de Novo Three-stranded Coiled Coil Peptide
分子名称: CHLORIDE ION, LEAD (II) ION, Pb(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, ...
著者Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-06-02
公開日2016-08-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins.
J.Am.Chem.Soc., 138, 2016
6Q0C
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BU of 6q0c by Molmil
MutY adenine glycosylase bound to DNA containing a transition state analog (1N) paired with undamaged dG
分子名称: 1,2-ETHANEDIOL, A/G-specific adenine glycosylase, CALCIUM ION, ...
著者O'Shea Murray, V.L, Russelburg, L.P, Horvath, M.P, David, S.S.
登録日2019-08-01
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Finding OG Lesions and Avoiding Undamaged G by the DNA Glycosylase MutY.
Acs Chem.Biol., 15, 2020
5IA0
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237)
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, alisertib
著者Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2016-02-21
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
5J6F
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BU of 5j6f by Molmil
Crystal structure of DAH7PS-CM complex from Geobacillus sp. with prephenate
分子名称: 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, chorismate mutase-isozyme 3, MANGANESE (II) ION, ...
著者Nazmi, A.R, Othman, M, Lang, E.J.M, Bai, Y, Allison, T.M, Panjkar, S, Arcus, V.L, Parker, E.J.
登録日2016-04-04
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Interdomain Conformational Changes Provide Allosteric Regulation en Route to Chorismate.
J. Biol. Chem., 291, 2016
6PYM
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BU of 6pym by Molmil
Structure of active-site serine mutant of ESP, serine protease from Staphylococcus epidermidis
分子名称: Glutamyl endopeptidase
著者Manne, K, Narayana, S.V.L.
登録日2019-07-30
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.20001817 Å)
主引用文献Structural insights into the role of the N-terminus in the activation and function of extracellular serine protease from Staphylococcus epidermidis
Acta Crystallogr.,Sect.D, 76, 2020
6Q7E
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BU of 6q7e by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL14
分子名称: 3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.059 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
3BGS
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BU of 3bgs by Molmil
Structure of human purine nucleoside phosphorylase with L-DADMe-ImmH and phosphate
分子名称: 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, purine nucleoside phosphorylase
著者Murkin, A.S, Ramagopal, U.A, Almo, S.C, Schramm, V.L.
登録日2007-11-27
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献L-Enantiomers of transition state analogue inhibitors bound to human purine nucleoside phosphorylase
J.Am.Chem.Soc., 130, 2008
6Q7F
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL18
分子名称: 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.204 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
5K9H
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BU of 5k9h by Molmil
Crystal structure of a glycoside hydrolase 29 family member from an unknown rumen bacterium
分子名称: 0940_GH29, GLYCEROL, SODIUM ION, ...
著者Summers, E.L, Arcus, V.L.
登録日2016-05-31
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献The structure of a glycoside hydrolase 29 family member from a rumen bacterium reveals unique, dual carbohydrate-binding domains.
Acta Crystallogr.,Sect.F, 72, 2016
3DGR
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BU of 3dgr by Molmil
Crystal structure of human NAMPT complexed with ADP analogue
分子名称: Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
著者Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
登録日2008-06-15
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
3DHF
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BU of 3dhf by Molmil
Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate
分子名称: BERYLLIUM TRIFLUORIDE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
登録日2008-06-17
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
3DKJ
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BU of 3dkj by Molmil
Crystal structure of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, Nicotinamide phosphoribosyltransferase
著者Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
登録日2008-06-25
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
6Q12
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BU of 6q12 by Molmil
Structure of pro-Esp mutant- S66V
分子名称: Glutamyl endopeptidase
著者Manne, K, Narayana, S.V.L.
登録日2019-08-02
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the role of the N-terminus in the activation and function of extracellular serine protease from Staphylococcus epidermidis.
Acta Crystallogr D Struct Biol, 76, 2020
6Q7C
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BU of 6q7c by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11
分子名称: 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.049 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6PT8
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BU of 6pt8 by Molmil
Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid
分子名称: ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ...
著者Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I.
登録日2019-07-15
公開日2020-07-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
5IA4
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BU of 5ia4 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880)
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
著者Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2016-02-21
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
6Q7D
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BU of 6q7d by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL13
分子名称: 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.978 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6FNJ
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BU of 6fnj by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with an isomer of NVP-BHG712
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.239 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6PTF
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Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State
分子名称: UPF0284 protein MJ1598
著者Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I.
登録日2019-07-15
公開日2020-07-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
6QEL
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BU of 6qel by Molmil
E. coli DnaBC apo complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA replication protein dnaC, MAGNESIUM ION, ...
著者Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M.
登録日2019-01-08
公開日2019-03-06
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Mol.Cell, 74, 2019
6FNF
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with NVP-BHG712
分子名称: 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.556 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6FNK
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BU of 6fnk by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712
分子名称: 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-B receptor 4
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
登録日2018-02-04
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.049 Å)
主引用文献NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6PU6
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BU of 6pu6 by Molmil
CobT from Methanocaldococcus jannaschii in complex with Alpha-Ribozole 5'-Phosphate, Nicotinic Acid, and Nicotinic Acid Mononucleotide
分子名称: ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINATE MONONUCLEOTIDE, NICOTINIC ACID, ...
著者Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I.
登録日2019-07-17
公開日2020-07-22
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
6Q24
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BU of 6q24 by Molmil
Structure of pro-Esp mutant- S235A
分子名称: Glutamyl endopeptidase
著者Manne, K, Narayana, S.V.L.
登録日2019-08-06
公開日2019-08-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the role of the N-terminus in the activation and function of extracellular serine protease from Staphylococcus epidermidis.
Acta Crystallogr D Struct Biol, 76, 2020
6Q7G
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BU of 6q7g by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATHA01
分子名称: 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.047 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published

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