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6EYM
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Neutron crystal structure of perdeuterated galectin-3C in complex with lactose
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T.
登録日2017-11-13
公開日2018-09-12
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
主引用文献Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
6F28
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Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A
分子名称: (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
著者Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
登録日2017-11-23
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.
J. Med. Chem., 61, 2018
6FJI
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Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (apo).
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
主引用文献Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
6FJJ
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Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin).
分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION
主引用文献Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative.
J. Struct. Biol., 205, 2019
8GAE
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BU of 8gae by Molmil
Hsp90 provides platform for CRaf dephosphorylation by PP5
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ...
著者Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A.
登録日2023-02-22
公開日2023-04-26
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Hsp90 provides a platform for kinase dephosphorylation by PP5.
Nat Commun, 14, 2023
6FSD
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BU of 6fsd by Molmil
Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10)
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ...
著者Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A.
登録日2018-02-19
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J.Med.Chem., 61, 2018
6GCE
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DNA binding domain of restriction endonuclease McrBC in complex with 5-formylcytosine DNA
分子名称: 5-methylcytosine-specific restriction enzyme B, DNA (5'-D(*GP*AP*GP*AP*CP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*(5FC)P*CP*GP*GP*TP*CP*TP*C)-3')
著者Sasnauskas, G.
登録日2018-04-17
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Recognition of modified cytosine variants by the DNA-binding domain of methyl-directed endonuclease McrBC.
FEBS Lett., 592, 2018
7MDH
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BU of 7mdh by Molmil
STRUCTURAL BASIS FOR LIGHT ACITVATION OF A CHLOROPLAST ENZYME. THE STRUCTURE OF SORGHUM NADP-MALATE DEHYDROGENASE IN ITS OXIDIZED FORM
分子名称: PROTEIN (MALATE DEHYDROGENASE), ZINC ION
著者Johansson, K, Ramaswamy, S, Saarinen, M, Lemaire-Chamley, M, Issakidis-Bourguet, E, Miginiac-Maslow, M, Eklund, H.
登録日1999-02-16
公開日1999-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for light activation of a chloroplast enzyme: the structure of sorghum NADP-malate dehydrogenase in its oxidized form.
Biochemistry, 38, 1999
6GHO
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BU of 6gho by Molmil
Crystal structure of Spx in complex with YjbH
分子名称: CHLORIDE ION, Regulatory protein Spx, UPF0413 protein GK0824
著者Awad, W, Logan, D.T, von Wachenfeldt, C.
登録日2018-05-08
公開日2019-04-24
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis for YjbH Adaptor-Mediated Recognition of Transcription Factor Spx.
Structure, 27, 2019
3MPT
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BU of 3mpt by Molmil
Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 14, N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
著者Somers, D.O.
登録日2010-04-27
公開日2010-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3NNU
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BU of 3nnu by Molmil
Crystal structure of P38 alpha in complex with DP1376
分子名称: 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14
著者Abendroth, J.
登録日2010-06-24
公開日2010-09-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNW
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BU of 3nnw by Molmil
Crystal structure of P38 alpha in complex with DP802
分子名称: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
著者Abendroth, J.
登録日2010-06-24
公開日2010-09-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
5JLH
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BU of 5jlh by Molmil
Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 2, ...
著者von der Ecken, J, Heissler, S.M, Pathan-Chhatbar, S, Manstein, D.J, Raunser, S.
登録日2016-04-27
公開日2016-06-15
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution.
Nature, 534, 2016
5JLF
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BU of 5jlf by Molmil
Structure of the F-actin-tropomyosin complex (Reprocessed)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者von der Ecken, J, Raunser, S.
登録日2016-04-27
公開日2016-06-15
最終更新日2020-02-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution.
Nature, 534, 2016
3OBJ
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BU of 3obj by Molmil
Conformational plasticity of p38 MAP kinase DFG mutants in response to inhibitor binding
分子名称: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B.
登録日2010-08-06
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
To be Published
1B2L
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BU of 1b2l by Molmil
ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS: TERNARY COMPLEX WITH NAD-CYCLOHEXANONE
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ALCOHOL DEHYDROGENASE, CALCIUM ION, ...
著者Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R.
登録日1998-11-26
公開日1999-11-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
J.Mol.Biol., 289, 1999
1B3N
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BU of 1b3n by Molmil
BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN.
分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2)
著者Moche, M, Schneider, G, Edwards, P, Dehesh, K, Lindqvist, Y.
登録日1998-12-14
公開日1999-04-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of the complex between the antibiotic cerulenin and its target, beta-ketoacyl-acyl carrier protein synthase.
J.Biol.Chem., 274, 1999
3MW1
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BU of 3mw1 by Molmil
p38 kinase Crystal structure in complex with small molecule inhibitor
分子名称: 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14
著者Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M.
登録日2010-05-05
公開日2011-04-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
J.Med.Chem., 54, 2011
1A8Z
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BU of 1a8z by Molmil
STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS
分子名称: COPPER (I) ION, RUSTICYANIN
著者Harvey, I, Hao, Q, Duke, E.M.H, Ingledew, W.J, Hasnain, S.S.
登録日1998-03-30
公開日1998-06-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure determination of a 16.8 kDa copper protein at 2.1 A resolution using anomalous scattering data with direct methods.
Acta Crystallogr.,Sect.D, 54, 1998
1C1H
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BU of 1c1h by Molmil
CRYSTAL STRUCTURE OF BACILLUS SUBTILIS FERROCHELATASE IN COMPLEX WITH N-METHYL MESOPORPHYRIN
分子名称: FERROCHELATASE, MAGNESIUM ION, N-METHYLMESOPORPHYRIN
著者Lecerof, D, Fodje, M, Hansson, A, Hansson, M, Al-Karadaghi, S.
登録日1999-07-22
公開日2000-03-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and mechanistic basis of porphyrin metallation by ferrochelatase.
J.Mol.Biol., 297, 2000
1BXY
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BU of 1bxy by Molmil
CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN L30 FROM THERMUS THERMOPHILUS AT 1.9 A RESOLUTION: CONFORMATIONAL FLEXIBILITY OF THE MOLECULE.
分子名称: PROTEIN (RIBOSOMAL PROTEIN L30)
著者Fedorov, R, Nevskaya, N, Khairullina, A, Tishchenko, S, Mikhailov, A, Garber, M, Nikonov, S.
登録日1998-10-09
公開日1998-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of ribosomal protein L30 from Thermus thermophilus at 1.9 A resolution: conformational flexibility of the molecule.
Acta Crystallogr.,Sect.D, 55, 1999
1BXE
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BU of 1bxe by Molmil
RIBOSOMAL PROTEIN L22 FROM THERMUS THERMOPHILUS
分子名称: CHLORIDE ION, PROTEIN (RIBOSOMAL PROTEIN L22)
著者Unge, J, Aberg, A, Al-Karadaghi, S, Nikulin, A, Nikonov, S, Davydova, N, Nevskaya, N, Garber, M, Liljas, A.
登録日1998-10-02
公開日1998-10-07
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of ribosomal protein L22 from Thermus thermophilus: insights into the mechanism of erythromycin resistance.
Structure, 6, 1998
1C2Y
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CRYSTAL STRUCTURES OF A PENTAMERIC FUNGAL AND AN ICOSAHEDRAL PLANT LUMAZINE SYNTHASE REVEALS THE STRUCTURAL BASIS FOR DIFFERENCES IN ASSEMBLY
分子名称: 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, PROTEIN (LUMAZINE SYNTHASE)
著者Persson, K, Schneider, G, Jordan, D.B, Viitanen, P.V, Sandalova, T.
登録日1999-07-27
公開日2000-07-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure analysis of a pentameric fungal and an icosahedral plant lumazine synthase reveals the structural basis for differences in assembly.
Protein Sci., 8, 1999
5E94
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Antibody-bound Glucagon-like Peptide-1 receptor extracellular domain
分子名称: Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, Glucagon-like peptide 1 receptor
著者Soroka, V, Schluckebier, G, Reedtz-Runge, S.
登録日2015-10-14
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight into antibody-mediated antagonism of the Glucagon-like peptide-1 Receptor.
Sci Rep, 6, 2016
1JBY
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BU of 1jby by Molmil
CRYSTAL STRUCTURE ANALYSIS OF A DUAL-WAVELENGTH EMISSION GREEN FLUORESCENT PROTEIN VARIANT AT LOW PH
分子名称: GREEN FLUORESCENT PROTEIN
著者Hanson, G.T, McAnaney, T.B, Park, E.S, Rendell, M.E.P, Yarbrough, D.K, Chu, S, Xi, L, Boxer, S.G, Montrose, M.H, Remington, S.J.
登録日2001-06-07
公開日2003-01-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Green Fluorescent Protein Variants as Ratiometric Dual Emission pH Sensors. 1. Structural Characterization and Preliminary Application.
Biochemistry, 41, 2002

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