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4WXI
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FACTOR XIA IN COMPLEX WITH THE INHIBITOR trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
分子名称: 1,2-ETHANEDIOL, COAGULATION FACTOR XI, LIGHT CHAIN, ...
著者Wei, A.
登録日2014-11-13
公開日2015-01-28
最終更新日2018-08-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Pyridine and pyridinone-based factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5NIM
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BU of 5nim by Molmil
EthR complex
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
著者Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R.
登録日2017-03-24
公開日2017-11-15
最終更新日2017-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org. Biomol. Chem., 15, 2017
5NJ0
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EthR complex
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(2~{R})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide
著者Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R.
登録日2017-03-27
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org. Biomol. Chem., 15, 2017
5NIB
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BU of 5nib by Molmil
Ligand complex of RORg LBD
分子名称: DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2017-03-23
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
4YO4
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BU of 4yo4 by Molmil
Crystal Structure of DAPK1 catalytic domain in complex with the hinge binding fragment phthalazine
分子名称: ACETATE ION, CHLORIDE ION, Death-associated protein kinase 1, ...
著者Grum-Tokars, V.L, Roy, S.M, Minasov, G, Anderson, W.F, Watterson, D.M.
登録日2015-03-11
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of DAPK1 catalytic domain in complex with hinge binding fragments
To Be Published
1KJL
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BU of 1kjl by Molmil
High Resolution X-Ray Structure of Human Galectin-3 in complex with LacNAc
分子名称: BROMIDE ION, CHLORIDE ION, Galectin-3, ...
著者Sorme, P, Arnoux, P, Kahl-Knutsson, B, Leffler, H, Rini, J.M, Nilsson, U.J.
登録日2001-12-04
公開日2005-04-12
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and thermodynamic studies on cation-Pi interactions in lectin-ligand complexes: high-affinity galectin-3 inhibitors through fine-tuning of an arginine-arene interaction.
J.Am.Chem.Soc., 127, 2005
1A9C
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BU of 1a9c by Molmil
GTP CYCLOHYDROLASE I (C110S MUTANT) IN COMPLEX WITH GTP
分子名称: GTP CYCLOHYDROLASE I, GUANOSINE-5'-TRIPHOSPHATE
著者Auerbach, G, Nar, H, Bracher, A, Bacher, A, Huber, R.
登録日1998-04-04
公開日1999-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献GTP Cyclohydrolase I in Complex with GTP at 2.1 A Resolution
To be Published
8UCU
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BU of 8ucu by Molmil
Partial DNA termination subcomplex of Xenopus laevis DNA polymerase alpha-primase
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA template, ...
著者Mullins, E.A, Chazin, W.J, Eichman, B.F.
登録日2023-09-27
公開日2023-10-11
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
8UCW
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BU of 8ucw by Molmil
Complete DNA termination subcomplex 2 of Xenopus laevis DNA polymerase alpha-primase
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA template, ...
著者Mullins, E.A, Chazin, W.C, Eichman, B.F.
登録日2023-09-27
公開日2023-10-11
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
6OH8
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BU of 6oh8 by Molmil
Crystal structure of (E)-biformene synthase LrdC from Streptomyces sp. strain K155 in the dimeric form
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Labdane-related diterpene synthase
著者Centeno-Leija, S, Serrano-Posada, H.
登録日2019-04-04
公開日2019-04-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The structure of (E)-biformene synthase provides insights into the biosynthesis of bacterial bicyclic labdane-related diterpenoids.
J.Struct.Biol., 207, 2019
5LRA
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BU of 5lra by Molmil
Plastidial phosphorylase PhoI from barley in complex with maltotetraose
分子名称: Alpha-1,4 glucan phosphorylase, PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Cuesta-Seijo, J.A, Ruzanski, C, Krucewicz, K, Palcic, M.M.
登録日2016-08-18
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
4TLP
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BU of 4tlp by Molmil
Crystal structure of a alanine91 mutant of WCI
分子名称: Chymotrypsin inhibitor 3
著者Sen, U, Majumder, S.
登録日2014-05-30
公開日2014-07-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A conserved tryptophan (W91) at the barrel-lid junction modulates the packing and stability of Kunitz (STI) family of inhibitors.
Biochim.Biophys.Acta, 1854, 2015
5NI5
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BU of 5ni5 by Molmil
Ligand complex of RORg LBD
分子名称: Nuclear receptor ROR-gamma, SODIUM ION, tethered SRC2-2 peptide, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2017-03-23
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
5NI8
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BU of 5ni8 by Molmil
Ligand complex of RORg LBD
分子名称: 2-(4-ethylsulfonylphenyl)-~{N}-[4-(2-phenylmethoxypyridin-3-yl)thiophen-2-yl]ethanamide, Nuclear receptor ROR-gamma, SODIUM ION, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2017-03-23
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design.
J. Med. Chem., 61, 2018
5NQ3
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BU of 5nq3 by Molmil
'Porcine (Sus scrofa) Major Histocompatibility Complex, class I, with human beta2 micro globulin, presenting EFEDLTFLA
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-PHE-GLU-ASP-LEU-THR-PHE-LEU-ALA, ...
著者Rizkallah, P.J, Tungatt, K, Sewell, A.K.
登録日2017-04-19
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig.
Plos Pathog., 14, 2018
3GQP
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BU of 3gqp by Molmil
Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.0 angstrom resolution
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta-A/B, PROTOPORPHYRIN IX CONTAINING FE
著者Balasubramanian, M, Sathya Moorthy, P, Neelagandan, K, Ponnuswamy, M.N.
登録日2009-03-24
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2 angstrom resolution
To be Published
4RYF
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BU of 4ryf by Molmil
ClpP1/2 heterocomplex from Listeria monocytogenes
分子名称: ATP-dependent Clp protease proteolytic subunit, MALONATE ION, SODIUM ION
著者Dahmen, M, Vielberg, M.-T, Groll, M, Sieber, S.A.
登録日2014-12-15
公開日2014-12-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and mechanism of the caseinolytic protease ClpP1/2 heterocomplex from Listeria monocytogenes.
Angew.Chem.Int.Ed.Engl., 54, 2015
3BP8
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BU of 3bp8 by Molmil
Crystal structure of Mlc/EIIB complex
分子名称: ACETATE ION, PTS system glucose-specific EIICB component, Putative NAGC-like transcriptional regulator, ...
著者An, Y.J, Jung, H.I, Cha, S.S.
登録日2007-12-18
公開日2008-05-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Analyses of Mlc-IIBGlc interaction and a plausible molecular mechanism of Mlc inactivation by membrane sequestration
Proc.Natl.Acad.Sci.Usa, 105, 2008
7Y9I
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BU of 7y9i by Molmil
Complex structure of AtYchF1 with ppGpp
分子名称: GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, Obg-like ATPase 1
著者Li, X, Chen, Z.
登録日2022-06-24
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Co-crystalization reveals the interaction between AtYchF1 and ppGpp.
Front Mol Biosci, 9, 2022
5OCQ
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BU of 5ocq by Molmil
Crystal structure of the complex of the kappa-carrageenase from Pseudoalteromonas carrageenovora with an oligotetrasaccharide of kappa-carrageenan
分子名称: 3,6-anhydro-D-galactose, 4-O-sulfo-beta-D-galactopyranose, CITRIC ACID, ...
著者Czjzek, M, Leroux, C, Bernard, T, Matard-Mann, M, Jeudy, A, Michel, G.
登録日2017-07-03
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into marine carbohydrate degradation by family GH16 kappa-carrageenases.
J. Biol. Chem., 292, 2017
1L0H
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BU of 1l0h by Molmil
CRYSTAL STRUCTURE OF BUTYRYL-ACP FROM E.COLI
分子名称: ACYL CARRIER PROTEIN, ZINC ION
著者Roujeinikova, A, Baldock, C, Simon, W.J, Gilroy, J, Baker, P.J, Stuitje, A.R, Rice, D.W, Slabas, A.R, Rafferty, J.B.
登録日2002-02-11
公開日2003-02-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray crystallographic studies on butyryl-ACP reveal flexibility of the structure around a putative acyl chain binding site
Structure, 10, 2002
3C1P
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BU of 3c1p by Molmil
Crystal Structure of an alternating D-Alanyl, L-Homoalanyl PNA
分子名称: Peptide Nucleic Acid DLY-HGL-AGD-LHC-AGD-LHC-CUD-LYS
著者Cuesta-Seijo, J.A, Sheldrick, G.M, Zhang, J, Diederichsen, U.
登録日2008-01-23
公開日2009-01-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Continuous beta-turn fold of an alternating alanyl/homoalanyl peptide nucleic acid.
Acta Crystallogr.,Sect.D, 68, 2012
3NL7
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BU of 3nl7 by Molmil
Human Hemoglobin A mutant beta H63W carbonmonoxy-form
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Birukou, I, Soman, J, Olson, J.S.
登録日2010-06-21
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Blocking the gate to ligand entry in human hemoglobin.
J.Biol.Chem., 286, 2011
3DPG
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BU of 3dpg by Molmil
SgrAI with noncognate DNA bound
分子名称: CALCIUM ION, DNA (5'-D(*DAP*DAP*DGP*DTP*DCP*DGP*DAP*DCP*DCP*DGP*DGP*DTP*DGP*DGP*DAP*DCP*DT)-3'), SgraIR restriction enzyme
著者Dunten, P.W, Horton, N.C, Little, E.J.
登録日2008-07-08
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The structure of SgrAI bound to DNA; recognition of an 8 base pair target.
Nucleic Acids Res., 36, 2008
4MRB
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BU of 4mrb by Molmil
Wild Type Human Transthyretin pH 7.5
分子名称: CALCIUM ION, Transthyretin
著者Chen, W.J, Wood, S.P.
登録日2013-09-17
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Proteolytic cleavage of Ser52Pro variant transthyretin triggers its amyloid fibrillogenesis.
Proc.Natl.Acad.Sci.USA, 111, 2014

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