3NHA
 
 | | Nucleotide Binding Domain of Human ABCB6 (ADP Mg bound structure) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-binding cassette sub-family B member 6, mitochondrial, ... | | 著者 | Haffke, M, Menzel, A, Carius, Y, Jahn, D, Heinz, D.W. | | 登録日 | 2010-06-14 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures of the nucleotide-binding domain of the human ABCB6 transporter and its complexes with nucleotides.
Acta Crystallogr.,Sect.D, 66, 2010
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3NHM
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6SKB
 | | Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK3496783A | | 分子名称: | 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, ... | | 著者 | Thorpe, J.H. | | 登録日 | 2019-08-15 | | 公開日 | 2019-09-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
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3NDF
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3NDU
 | | HIV-1 Protease Saquinavir:Ritonavir 1:5 complex structure | | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, CHLORIDE ION, ... | | 著者 | Geremia, S, Olajuyigbe, F.M, Demitri, N. | | 登録日 | 2010-06-08 | | 公開日 | 2011-07-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
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9BJK
 | | Inactive mu opioid receptor bound to Nb6, naloxone and NAM | | 分子名称: | Mu-type opioid receptor, Naloxone, Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide, ... | | 著者 | O'Brien, E.S, Wang, H, Kaavya Krishna, K, Zhang, C, Kobilka, B.K. | | 登録日 | 2024-04-25 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | | 主引用文献 | A mu-opioid receptor modulator that works cooperatively with naloxone.
Nature, 631, 2024
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6SO2
 | | Fragment N13460a in complex with MAP kinase p38-alpha | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | | 著者 | Nichols, C.E, De Nicola, G.F. | | 登録日 | 2019-08-28 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6SPA
 | | A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 IN C2 SPACE GROUP | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ... | | 著者 | Shahid, M, Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S. | | 登録日 | 2019-08-31 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
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6SPL
 | | Fragment KCL615 in complex with MAP kinase p38-alpha | | 分子名称: | (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | | 著者 | Nichols, C.E, De Nicola, G.F. | | 登録日 | 2019-09-01 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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4X6P
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3M7T
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4X1R
 | | The crystal structure of mupain-1-12 in complex with murinised human uPA at pH7.4 | | 分子名称: | 1-phenylguanidine, Urokinase-type plasminogen activator, mupain-1-12 | | 著者 | Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M. | | 登録日 | 2014-11-25 | | 公開日 | 2015-03-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
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4X7H
 | | Co-crystal Structure of PERK bound to N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide inhibitor | | 分子名称: | Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION | | 著者 | Shaffer, P.L, Bellon, S.F, Long, A.M, Chen, H. | | 登録日 | 2014-12-09 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
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3M9K
 | | Crystal structure of human thioredoxin C69/73S double-mutant, oxidized form | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, SULFATE ION, Thioredoxin | | 著者 | Weichsel, A, Montfort, W.R. | | 登録日 | 2010-03-22 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of human thioredoxin revealing an unraveled helix and exposed S-nitrosation site.
Protein Sci., 19, 2010
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4X7L
 | | Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor | | 分子名称: | 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ... | | 著者 | Shaffer, P.L, Long, A.M, Chen, H. | | 登録日 | 2014-12-09 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
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3MB7
 | | Human CK2 catalytic domain in complex with a difurane derivative inhibitor (AMR) | | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid | | 著者 | Reiser, J.-B, Prudent, R, Cochet, C. | | 登録日 | 2010-03-25 | | 公開日 | 2010-05-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
Faseb J., 24, 2010
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6SJU
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3MFP
 | | Atomic model of F-actin based on a 6.6 angstrom resolution cryoEM map | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle | | 著者 | Fujii, T, Iwane, A.H, Yanagida, T, Namba, K. | | 登録日 | 2010-04-03 | | 公開日 | 2010-09-29 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (6.6 Å) | | 主引用文献 | Direct visualization of secondary structures of F-actin by electron cryomicroscopy
Nature, 467, 2010
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4X0M
 | | Selection of fragments for kinase inhibitor design: decoration is key | | 分子名称: | 4-aminopyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | | 登録日 | 2014-11-21 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
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9CJA
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3MI4
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3MFJ
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6SNZ
 | | Crystal structure of lamin A coil1b tetramer | | 分子名称: | GLYCEROL, Prelamin-A/C | | 著者 | Lilina, A.V, Chernyatina, A.A, Guzenko, D, Strelkov, S.V. | | 登録日 | 2019-08-28 | | 公開日 | 2019-10-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Lateral A11type tetramerization in lamins.
J.Struct.Biol., 209, 2020
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6SIK
 | | SAD structure of Hen Egg White Lysozyme recovered by continuous rotation data collection and univariate analysis | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Garcia-Bonete, M.J, Katona, G. | | 登録日 | 2019-08-10 | | 公開日 | 2019-11-06 | | 最終更新日 | 2019-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.61007011 Å) | | 主引用文献 | Bayesian machine learning improves single-wavelength anomalous diffraction phasing.
Acta Crystallogr.,Sect.A, 75, 2019
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3MFS
 | | CASK-4M CaM Kinase Domain, AMPPNP | | 分子名称: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Peripheral plasma membrane protein CASK | | 著者 | Wahl, M.C, Mukherjee, K. | | 登録日 | 2010-04-03 | | 公開日 | 2010-04-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Evolution of CASK into a Mg2+-sensitive kinase.
Sci.Signal., 3, 2010
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