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PDB: 22488 件
4NIO
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BU of 4nio by Molmil
GVTGIAQ segment 147-153 from Human Superoxide Dismutase with I149T mutation associated with a familial form of amyotrophic lateral sclerosis
分子名称: GVTGIAQ segment from Superoxide dismutase [Cu-Zn]
著者Sievers, S.A, Sawaya, M.R, Eisenberg, D, Ivanova, M.I.
登録日2013-11-06
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NYK
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BU of 4nyk by Molmil
Structure of a membrane protein
分子名称: Acid-sensing ion channel 1, CHLORIDE ION
著者Baconguis, I, Bohlen, C.J, Goehring, A, Julius, D, Gouaux, E.
登録日2013-12-10
公開日2014-02-12
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Pore architecture and ion sites in acid-sensing ion channels and P2X receptors.
Nature, 460, 2009
4O2B
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BU of 4o2b by Molmil
Tubulin-Colchicine complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Prota, A.E, Franck, D, Bachmann, F, Bargsten, K, Buey, R.M, Pohlmann, J, Reinelt, S, Lane, H, Steinmetz, M.O.
登録日2013-12-17
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Novel Microtubule-Destabilizing Drug BAL27862 Binds to the Colchicine Site of Tubulin with Distinct Effects on Microtubule Organization.
J.Mol.Biol., 426, 2014
4MQA
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BU of 4mqa by Molmil
Human beta-tryptase co-crystal structure with {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)
分子名称: SULFATE ION, TETRAETHYLENE GLYCOL, Tryptase alpha/beta-1, ...
著者White, A, Lakshminarasimhan, D, Suto, R.
登録日2013-09-16
公開日2015-03-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Target-directed self-assembly of homodimeric drugs
To be Published
4N73
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BU of 4n73 by Molmil
Crystal structure of the ligand binding domain (LBD) of REV-ERB beta bound to Cobalt Protoporphyrin IX
分子名称: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING CO
著者Matta-Camacho, E, Kojetin, D.
登録日2013-10-14
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8662 Å)
主引用文献Structure of REV-ERB beta Ligand-binding Domain Bound to a Porphyrin Antagonist.
J.Biol.Chem., 289, 2014
4N70
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BU of 4n70 by Molmil
Pim1 Complexed with a pyridylcarboxamide
分子名称: N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4NKM
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BU of 4nkm by Molmil
Crystal structure of engineered anti-EE scFv antibody fragment
分子名称: Engineered scFv
著者Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L.
登録日2013-11-12
公開日2014-03-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.71 Å)
主引用文献Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments.
Proteins, 82, 2014
4NKD
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BU of 4nkd by Molmil
Crystal structure of engineered anti-EE scFv antibody fragment
分子名称: Engineered scFv
著者Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L.
登録日2013-11-12
公開日2014-03-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.303 Å)
主引用文献Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments.
Proteins, 82, 2014
4NIP
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BU of 4nip by Molmil
GVIGIAQ segment 147-153 from Human Superoxide Dismutase
分子名称: GVTGIAQ segment from Superoxide dismutase [Cu-Zn]
著者Sievers, S.A, Sawaya, M.R, Eisenberg, D, Ivanova, M.I.
登録日2013-11-06
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4N6T
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BU of 4n6t by Molmil
Adhiron: a stable and versatile peptide display scaffold - full length adhiron
分子名称: Adhiron
著者Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
登録日2013-10-14
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
4N6Y
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BU of 4n6y by Molmil
Pim1 Complexed with a phenylcarboxamide
分子名称: 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
7JVX
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BU of 7jvx by Molmil
Crystal structure of PTEN (aa 7-353 followed by spacer TGGGSGGTGGGSGGTGGGCY ligated to peptide pSDpTpTDpSDPENEPFDED)
分子名称: PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-24
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
7JUL
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BU of 7jul by Molmil
Crystal structure of non phosphorylated PTEN (n-crPTEN-13sp-T1, SDTTDSDPENEG)
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-20
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
7JUK
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BU of 7juk by Molmil
Crystal structure of PTEN with a tetra-phosphorylated tail (4p-crPTEN-13sp-T2, SDTTDSDPENEG)
分子名称: PHOSPHATE ION, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN
著者Dempsey, D, Phan, K, Cole, P, Gabelli, S.B.
登録日2020-08-19
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献The structural basis of PTEN regulation by multi-site phosphorylation.
Nat.Struct.Mol.Biol., 28, 2021
4MKI
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BU of 4mki by Molmil
Cobalt transporter ATP-binding subunit
分子名称: DODECYL-BETA-D-MALTOSIDE, Energy-coupling factor transporter ATP-binding protein EcfA2, SULFATE ION
著者Yu, Y, Zhang, L, Chai, C.L, Heymann, D.
登録日2013-09-05
公開日2013-10-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for a homodimeric ATPase subunit of an ECF transporter
Protein Cell, 4, 2013
4N6Z
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BU of 4n6z by Molmil
Pim1 Complexed with a pyridylcarboxamide
分子名称: 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D.
登録日2013-10-14
公開日2013-11-06
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
4N6U
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BU of 4n6u by Molmil
Adhiron: a stable and versatile peptide display scaffold - truncated adhiron
分子名称: Adhiron
著者Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J.
登録日2013-10-14
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
4OA3
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BU of 4oa3 by Molmil
Crystal structure of the BA42 protein from BIZIONIA ARGENTINENSIS
分子名称: CALCIUM ION, PROTEIN BA42
著者Otero, L.H, Klinke, S, Aran, M, Pellizza, L, Goldbaum, F.A, Cicero, D.
登録日2014-01-03
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain.
Proteins, 82, 2014
5ORH
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BU of 5orh by Molmil
The crystal structure of CK2alpha in complex with compound 2
分子名称: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-16
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OUE
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BU of 5oue by Molmil
The crystal structure of CK2alpha in complex with compound 20
分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium, 3-methyl-5-oxidanyl-benzoic acid, ACETATE ION, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-23
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OYF
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BU of 5oyf by Molmil
The crystal structure of CK2alpha in complex with compound 31
分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-09-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5ORK
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BU of 5ork by Molmil
The crystal structure of CK2alpha in complex with compound 6
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-16
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.143 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTH
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BU of 5oth by Molmil
The crystal structure of CK2alpha in complex with compound 26
分子名称: ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OTR
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BU of 5otr by Molmil
The crystal structure of CK2alpha in complex with compound 14
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-22
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OSL
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BU of 5osl by Molmil
The crystal structure of CK2alpha in complex with compound 7
分子名称: 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-17
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018

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