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PDB: 1814 件
5C4H
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BU of 5c4h by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92H at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Sorenson, J.L, Schlessman, J.L, Garcia-Moreno E, B.
登録日2015-06-18
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS I92H at cryogenic temperature
To be Published
5I9O
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BU of 5i9o by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L36K L103K at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Sorenson, J.L, Schlessman, J.L, Garcia-Moreno E, B.
登録日2016-02-20
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS L36K L103K at cryogenic temperature
To Be Published
7OS9
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BU of 7os9 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant with purification tag
分子名称: IMIDAZOLE, Trp operon repressor
著者Sprenger, J, Lawson, C.L, Lo Leggio, L, Von Wachenfeldt, C, Carey, J.
登録日2021-06-08
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
4UOE
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BU of 4uoe by Molmil
Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(aminomethyl)aniline, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
著者Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Person, L.
登録日2014-06-03
公開日2014-10-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
6PAD
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BU of 6pad by Molmil
Binding of chloromethyl ketone substrate analogues to crystalline papain
分子名称: Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-3-chloro-1-methyl-2-oxopropyl]-L-phenylalaninamide, PAPAIN
著者Drenth, J, Kalk, K.H, Swen, H.M.
登録日1976-11-01
公開日1977-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
5PAD
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BU of 5pad by Molmil
BINDING OF CHLOROMETHYL KETONE SUBSTRATE ANALOGUES TO CRYSTALLINE PAPAIN
分子名称: PAPAIN, PHQ-GLY-PHE-GLY-CHLOROMETHYLKETONE INHIBITOR
著者Drenth, J, Kalk, K.H, Swen, H.M.
登録日1976-11-01
公開日1977-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding of chloromethyl ketone substrate analogues to crystalline papain.
Biochemistry, 15, 1976
4ZUJ
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BU of 4zuj by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91H at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Sorenson, J.L, Schlessman, J.L, Garcia-Moreno E, B.
登録日2015-05-16
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS Y91H at cryogenic temperature
To be Published
4ZQ3
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BU of 4zq3 by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92T at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Sorenson, J.L, Schlessman, J.L, Garcia-Moreno E, B.
登録日2015-05-08
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS I92T at cryogenic temperature
To be Published
4ZUI
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BU of 4zui by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23H at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Sorenson, J.L, Schlessman, J.L, Garcia-Moreno E, B.
登録日2015-05-16
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS V23H at cryogenic temperature
To be Published
6ST6
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BU of 6st6 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant
分子名称: ISOPROPYL ALCOHOL, Trp operon repressor
著者Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
登録日2019-09-10
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
4PNY
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Crystal structure of Staphylococcal nuclease variant Delta+PHS I72H at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Sorenson, J.L, Schlessman, J.L, Garcia-Moreno E, B.
登録日2014-02-22
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS I72H at cryogenic temperature
To be Published
4PMC
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BU of 4pmc by Molmil
Crystal structure of Staphylcoccal nuclease variant Delta+PHS I72K V74K at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Sorenson, J.L, Schlessman, J.L, Garcia-Moreno, E.B.
登録日2014-05-20
公開日2014-06-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of Staphylcoccal nuclease variant Delta+PHS I72K V74K at cryogenic temperature
to be published
6ST7
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BU of 6st7 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp
分子名称: ISOPROPYL ALCOHOL, TRYPTOPHAN, Trp operon repressor
著者Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
登録日2019-09-10
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
6OVD
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BU of 6ovd by Molmil
Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 3-ethylphenyl-ACEPC
分子名称: (3S,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ...
著者Syrenne, J.T, Mou, T.C, Tamborini, L, Pinto, A, Sprang, S.R, Hansen, K.B.
登録日2019-05-07
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 3-ethylphenyl-ACEPC
To Be Published
6OVE
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BU of 6ove by Molmil
Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 4-propylphenyl-ACEPC
分子名称: (3R,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid, GLYCINE, Glutamate receptor ionotropic, ...
著者Syrenne, J.T, Mou, T.C, Tamborini, L, Pinto, A, Sprang, S.R, Hansen, K.B.
登録日2019-05-07
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of GluN1/GluN2A NMDA receptor agonist binding domains with glycine and antagonist, 3-ethylphenyl-ACEPC
To Be Published
4PMB
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BU of 4pmb by Molmil
Crystal structure of Staphylcoccal nuclease variant Delta+PHS I92S at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Sorenson, J.L, Schlessman, J.L, Garcia-Moreno, E.B.
登録日2014-05-20
公開日2014-06-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Staphylcoccal nuclease variant Delta+PHS I92S at cryogenic temperature
to be published
6C07
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BU of 6c07 by Molmil
Crystal Structure of S-Adenosylmethionine synthetase (MetK/Mat) from Cryptosporidium parvum
分子名称: CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ...
著者Ohren, J.F, Viola, R.E.
登録日2017-12-28
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a critical metabolic enzyme: S-adenosylmethionine synthetase from Cryptosporidium parvum.
Acta Crystallogr F Struct Biol Commun, 75, 2019
5MRD
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BU of 5mrd by Molmil
Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Arencibia, J.M, Froehner, W, Krupa, M, Pastor-Flores, D, Merker, P, Oellerich, T, Neimanis, S, Schmithals, C, Koeberle, V, Suess, E, Zeuzem, S, Stark, H, Piiper, A, Odadzic, D, Schulze, J.O, Biondi, R.M.
登録日2016-12-22
公開日2017-01-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms.
ACS Chem. Biol., 12, 2017
6ASV
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BU of 6asv by Molmil
E. coli PRPP Synthetase
分子名称: CHLORIDE ION, PHOSPHATE ION, Ribose-phosphate pyrophosphokinase
著者French, J.B, Zhou, W.
登録日2017-08-25
公開日2019-01-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of E. coli PRPP synthetase.
BMC Struct. Biol., 19, 2019
7BF1
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BU of 7bf1 by Molmil
Ca2+-Calmodulin in complex with peptide from brain-type creatine kinase in extended 1:2 binding mode
分子名称: ACETYL GROUP, CALCIUM ION, Calmodulin-1, ...
著者Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S.
登録日2020-12-31
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Calmodulin complexes with brain and muscle creatine kinase peptides.
Curr Res Struct Biol, 3, 2021
7BF2
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Ca2+-Calmodulin in complex with human muscle form creatine kinase peptide in extended 1:2 binding mode
分子名称: CALCIUM ION, Calmodulin-1, Creatine kinase M-type
著者Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S.
登録日2020-12-31
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Calmodulin complexes with brain and muscle creatine kinase peptides.
Curr Res Struct Biol, 3, 2021
3EQB
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BU of 3eqb by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Ohren, J.F, Pavlovsky, A, Zhang, E.
登録日2008-09-30
公開日2008-11-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase).
Bioorg.Med.Chem.Lett., 18, 2008
3DY7
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BU of 3dy7 by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Ohren, J.F, Pavlovsky, A, Zhang, E.
登録日2008-07-25
公開日2009-06-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
7NOZ
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BU of 7noz by Molmil
Structure of the nanobody stablized properdin bound alternative pathway proconvertase C3b:FB:FP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 alpha chain, Complement C3 beta chain, ...
著者Lorenzen, J, Pedersen, D.V, Andersen, G.R.
登録日2021-02-26
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structure determination of an unstable macromolecular complex enabled by nanobody-peptide bridging.
Protein Sci., 31, 2022
5TQ5
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BU of 5tq5 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase JAK2
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017

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件を2024-08-07に公開中

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