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4GHI
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BU of 4ghi by Molmil
Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist
分子名称: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
著者Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H.
登録日2012-08-07
公開日2013-02-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Allosteric inhibition of hypoxia inducible factor-2 with small molecules.
Nat.Chem.Biol., 9, 2013
4J52
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BU of 4j52 by Molmil
Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor
分子名称: 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
著者Hosfield, D.J, Skene, R.J.
登録日2013-02-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
4J53
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BU of 4j53 by Molmil
Crystal structure of PLK1 in complex with TAK-960
分子名称: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
著者Hosfield, D.J, Skene, R.J.
登録日2013-02-07
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
6LEI
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BU of 6lei by Molmil
Structure of D-carbamoylase from Nitratireductor indicus
分子名称: 1,2-ETHANEDIOL, N-carbamoyl-D-amino-acid hydrolase
著者Ni, Y, Liu, Y.F, Xu, G.C.
登録日2019-11-25
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6LHH
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BU of 6lhh by Molmil
Crystal structure of chicken 8mer-BF2*1501
分子名称: ARG-ARG-ARG-GLU-GLN-THR-ASP-TYR, Beta-2-microglobulin, MHC class I
著者Liu, Y.J, Xia, C.
登録日2019-12-08
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献The Combination of CD8 alpha alpha and Peptide-MHC-I in a Face-to-Face Mode Promotes Chicken gamma delta T Cells Response.
Front Immunol, 11, 2020
6LHF
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BU of 6lhf by Molmil
Crystal structure of chicken cCD8aa/pBF2*15:01
分子名称: Beta-2-microglobulin, CD8 alpha chain, MHC class I, ...
著者Liu, Y.J, Xia, C.
登録日2019-12-08
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Combination of CD8 alpha alpha and Peptide-MHC-I in a Face-to-Face Mode Promotes Chicken gamma delta T Cells Response.
Front Immunol, 11, 2020
6U0S
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BU of 6u0s by Molmil
Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate
分子名称: 2,4-dichlorophenol 6-monooxygenase, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol, CHLORIDE ION, ...
著者Shi, R, Manenda, M.
登録日2019-08-14
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
6U0P
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BU of 6u0p by Molmil
Crystal structure of PieE, the flavin-dependent monooxygenase involved in the biosynthesis of piericidin A1
分子名称: 2,4-dichlorophenol 6-monooxygenase, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Shi, R, Manenda, M, Picard, M.-E.
登録日2019-08-14
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
6LED
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BU of 6led by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
分子名称: 1,2-ETHANEDIOL, N-carbamoyl-D-amino-acid hydrolase
著者Ni, Y, Liu, Y.F, Xu, G.C.
登録日2019-11-25
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6LHG
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BU of 6lhg by Molmil
Crystal structure of chicken cCD8aa/pBF2*04:01
分子名称: Beta-2-microglobulin, CD8 alpha chain, IE8 peptide, ...
著者Liu, Y.J, Xia, C.
登録日2019-12-08
公開日2020-12-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Combination of CD8 alpha alpha and Peptide-MHC-I in a Face-to-Face Mode Promotes Chicken gamma delta T Cells Response.
Front Immunol, 11, 2020
6LE2
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BU of 6le2 by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase
著者Ni, Y, Liu, Y.F, Xu, G.C, Dai, W.
登録日2019-11-23
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6ILG
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BU of 6ilg by Molmil
CRYSTAL STRUCTURE OF BAT MHC CLASS I PTAL-N*01:01 FOR 2.6 ANGSTROM
分子名称: Beta-2-microglobulin, HEV-1-P8L, MHC class I antigen
著者Qu, Z.H, Zhang, N.Z, Xia, C.
登録日2018-10-18
公開日2019-07-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Peptidome of the Bat MHC Class I Molecule Reveal a Novel Mechanism Leading to High-Affinity Peptide Binding.
J Immunol., 202, 2019
6ILF
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BU of 6ilf by Molmil
CRYSTAL STRUCTURE OF BAT MHC CLASS I PTAL-N*01:01 FOR 2.7 ANGSTROM
分子名称: Beta-2-microglobulin, HEV-2, MHC class I antigen
著者Qu, Z.H, Zhang, N.Z, Xia, C.
登録日2018-10-17
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and Peptidome of the Bat MHC Class I Molecule Reveal a Novel Mechanism Leading to High-Affinity Peptide Binding.
J Immunol., 202, 2019
6VPX
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BU of 6vpx by Molmil
Nanodisc of full-length HIV-1 Envelope glycoprotein clone AMC011 in complex with one PGT151 Fab and three 10E8 Fabs
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rantalainen, K, Ward, A.B.W.
登録日2020-02-04
公開日2020-04-22
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献HIV-1 Envelope and MPER Antibody Structures in Lipid Assemblies.
Cell Rep, 31, 2020
6N7R
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BU of 6n7r by Molmil
Saccharomyces cerevisiae spliceosomal E complex (ACT1)
分子名称: 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ...
著者Liu, S, Li, X, Zhou, Z.H, Zhao, R.
登録日2018-11-28
公開日2019-09-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
6NAE
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BU of 6nae by Molmil
Crystal Structure of Ebola zaire GP protein with bound ARN0074898
分子名称: (1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-12-05
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of Adamantane Carboxamides as Ebola Virus Cell Entry and Glycoprotein Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6NCU
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BU of 6ncu by Molmil
Interleukin-37 residues 53-206- dimer
分子名称: Interleukin-37
著者Eisenmesser, E.Z.
登録日2018-12-12
公開日2019-03-13
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Interleukin-37 monomer is the active form for reducing innate immunity.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6N7P
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BU of 6n7p by Molmil
S. cerevisiae spliceosomal E complex (UBC4)
分子名称: 56 kDa U1 small nuclear ribonucleoprotein component, Nuclear cap-binding protein complex subunit 1, Nuclear cap-binding protein subunit 2, ...
著者Liu, S, Li, X, Zhou, Z.H, Zhao, R.
登録日2018-11-27
公開日2019-09-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
6NX1
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BU of 6nx1 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL
分子名称: 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
著者Khan, J.A.
登録日2019-02-07
公開日2020-02-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
6ILE
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BU of 6ile by Molmil
CRYSTAL STRUCTURE OF A MUTANT PTAL-N*01:01 FOR 2.9 ANGSTROM, 52M 53D 54L DELETED
分子名称: Beta-2-microglobulin, HEV-1, MHC class I antigen
著者Qu, Z.H, Zhang, N.Z, Xia, C.
登録日2018-10-17
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and Peptidome of the Bat MHC Class I Molecule Reveal a Novel Mechanism Leading to High-Affinity Peptide Binding.
J Immunol., 202, 2019
6ILC
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BU of 6ilc by Molmil
CRYSTAL STRUCTURE OF BAT MHC CLASS I PTAL-N*01:01 FOR 2.2 ANGSTROM
分子名称: Beta-2-microglobulin, HEV-1, MHC class I antigen
著者Qu, Z.H, Zhang, N.Z, Xia, C.
登録日2018-10-17
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Peptidome of the Bat MHC Class I Molecule Reveal a Novel Mechanism Leading to High-Affinity Peptide Binding.
J Immunol., 202, 2019
6QVC
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BU of 6qvc by Molmil
CryoEM structure of the human ClC-1 chloride channel, CBS state 1
分子名称: Chloride channel protein 1
著者Wang, K.T, Gourdon, P.E, Zhou, Z.H.
登録日2019-03-01
公開日2019-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of the human ClC-1 chloride channel.
Plos Biol., 17, 2019
5ZMA
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BU of 5zma by Molmil
Structural basis for an allosteric Eya2 phosphatase inhibitor
分子名称: 3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide, Eyes absent homolog 2
著者Anantharajan, J, Jansson, A.E, Kang, C.
登録日2018-04-02
公開日2019-06-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.175 Å)
主引用文献Structural and Functional Analyses of an Allosteric EYA2 Phosphatase Inhibitor That Has On-Target Effects in Human Lung Cancer Cells.
Mol.Cancer Ther., 18, 2019
4KC3
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BU of 4kc3 by Molmil
Cytokine/receptor binary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor-like 1, Interleukin-33
著者Liu, X, Wang, X.Q.
登録日2013-04-24
公開日2013-08-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.2702 Å)
主引用文献Structural insights into the interaction of IL-33 with its receptors.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LWG
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BU of 4lwg by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4
分子名称: 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, Heat shock protein HSP 90-alpha
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014

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