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6G5O
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BU of 6g5o by Molmil
The structure of a carbohydrate active P450
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Robb, C.S, Hehemann, J.H.
登録日2018-03-29
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Specificity and mechanism of carbohydrate demethylation by cytochrome P450 monooxygenases.
Biochem. J., 475, 2018
6G5T
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Myoglobin H64V/V68A in the resting state, 1.5 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2018-03-30
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
5DDQ
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BU of 5ddq by Molmil
L-glutamine riboswitch bound with L-glutamine soaked with Mn2+
分子名称: GLUTAMINE, L-glutamine riboswitch RNA (61-MER), MAGNESIUM ION, ...
著者Ren, A, Patel, D.J.
登録日2015-08-25
公開日2015-12-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
6G5V
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BU of 6g5v by Molmil
The X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) terpyridine compound (pH 7.0)
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ...
著者Merlino, A, Ferraro, G.
登録日2018-03-30
公開日2018-07-04
最終更新日2018-07-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A case of extensive protein platination: the reaction of lysozyme with a Pt(ii)-terpyridine complex.
Dalton Trans, 47, 2018
5DF6
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BU of 5df6 by Molmil
Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide
分子名称: Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip
著者Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2015-08-26
公開日2015-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP.
Biochem.J., 473, 2016
3DY7
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BU of 3dy7 by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Ohren, J.F, Pavlovsky, A, Zhang, E.
登録日2008-07-25
公開日2009-06-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
5DIA
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BU of 5dia by Molmil
PIM1 in complex with Cpd36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)cyclohexane-1,3-diamine)
分子名称: (1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H.
登録日2015-08-31
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.964 Å)
主引用文献Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8A2T
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BU of 8a2t by Molmil
Cryo-EM structure of F-actin in the Mg2+-ADP nucleotide state.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S.
登録日2022-06-06
公開日2022-08-10
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.24 Å)
主引用文献Structural basis of actin filament assembly and aging.
Nature, 611, 2022
8A2Z
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BU of 8a2z by Molmil
Cryo-EM structure of F-actin in the Ca2+-ADP nucleotide state.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S.
登録日2022-06-06
公開日2022-08-10
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.15 Å)
主引用文献Structural basis of actin filament assembly and aging.
Nature, 611, 2022
8A2U
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BU of 8a2u by Molmil
Cryo-EM structure of F-actin in the Ca2+-ADP-BeF3- nucleotide state.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S.
登録日2022-06-06
公開日2022-08-10
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.21 Å)
主引用文献Structural basis of actin filament assembly and aging.
Nature, 611, 2022
6TVY
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BU of 6tvy by Molmil
Structure of hen egg white lysozyme crystallized in the presence of Tb-Xo4 crystallophore in the XtalController device
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者de Wijn, R, Rollet, K, Coudray, L, McEwen, A.G, Lorber, B, Sauter, C.
登録日2020-01-10
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Monitoring the Production of High Diffraction-Quality Crystals of Two Enzymes in Real Time Using In Situ Dynamic Light Scattering
Crystals, 2020
3DTQ
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BU of 3dtq by Molmil
Engineered human lipocalin 2 with specificity for Y-DTPA, apo-form
分子名称: Neutrophil gelatinase-associated lipocalin
著者Eichinger, A, Skerra, A.
登録日2008-07-15
公開日2009-05-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2.
J.Am.Chem.Soc., 131, 2009
8A3Q
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BU of 8a3q by Molmil
Human Plasma Kallekrein in complex with 14W
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein, ...
著者McEwan, P.A.
登録日2022-06-08
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema.
J.Med.Chem., 65, 2022
8A2Y
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BU of 8a2y by Molmil
Cryo-EM structure of F-actin in the Ca2+-ADP-Pi nucleotide state.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S.
登録日2022-06-06
公開日2022-08-10
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.15 Å)
主引用文献Structural basis of actin filament assembly and aging.
Nature, 611, 2022
5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
分子名称: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R, Wang, W.
登録日2015-08-27
公開日2016-01-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
3DV5
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BU of 3dv5 by Molmil
Crystal structure of human beta-secretase in complex with NVP-BAV544
分子名称: (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1
著者Rondeau, J.-M.
登録日2008-07-18
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.
Bioorg.Med.Chem.Lett., 19, 2009
8A2S
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BU of 8a2s by Molmil
Cryo-EM structure of F-actin in the Mg2+-ADP-Pi nucleotide state.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S.
登録日2022-06-06
公開日2022-08-10
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.22 Å)
主引用文献Structural basis of actin filament assembly and aging.
Nature, 611, 2022
6U3K
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BU of 6u3k by Molmil
The crystal structure of 4-(pyridin-2-yl)benzoate-bound CYP199A4
分子名称: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bruning, J.B, Bell, S.G.
登録日2019-08-21
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases.
Biochemistry, 59, 2020
5DGU
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BU of 5dgu by Molmil
Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A
分子名称: (3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
著者Agniswamy, J, Wang, Y.-F, Weber, I.T.
登録日2015-08-28
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands.
Org.Biomol.Chem., 13, 2015
6TYH
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BU of 6tyh by Molmil
Four-Disulfide Insulin Analog A22/B22
分子名称: ACETONE, CHLORIDE ION, GLYCEROL, ...
著者Blakely, A.D, Xiong, X.
登録日2019-08-08
公開日2019-11-13
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (1.600019 Å)
主引用文献Novel four-disulfide insulin analog with high aggregation stability and potency.
Chem Sci, 11, 2020
5DDR
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BU of 5ddr by Molmil
L-glutamine riboswitch bound with L-glutamine soaked with Cs+
分子名称: CESIUM ION, GLUTAMINE, L-glutamine riboswitch RNA (61-MER), ...
著者Ren, A, Patel, D.J.
登録日2015-08-25
公開日2015-12-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.605 Å)
主引用文献Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
8A2R
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BU of 8a2r by Molmil
Cryo-EM structure of F-actin in the Mg2+-ADP-BeF3- nucleotide state.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Oosterheert, W, Klink, B.U, Belyy, A, Pospich, S, Raunser, S.
登録日2022-06-06
公開日2022-08-10
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (2.17 Å)
主引用文献Structural basis of actin filament assembly and aging.
Nature, 611, 2022
3DY0
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BU of 3dy0 by Molmil
Crystal Structure of Cleaved PCI Bound to Heparin
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, C-terminus Plasma serine protease inhibitor, GLYCEROL, ...
著者Li, W, Huntington, J.A.
登録日2008-07-25
公開日2008-10-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The heparin binding site of protein C inhibitor is protease-dependent.
J.Biol.Chem., 283, 2008
5DE3
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BU of 5de3 by Molmil
The Crystal structure of Chlamydomonas reinhardtii Arl3 bound to GppNHp
分子名称: ADP-ribosylation factor-like protein 3, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Gotthardt, K, Lokaj, M, Wittinghofer, A.
登録日2015-08-25
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.417 Å)
主引用文献The Crystal structure of Chlamydomonas reinhardtii Arl3 bound to GppNHp
To Be Published
6TVL
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BU of 6tvl by Molmil
Hen Egg White Lysozyme in complex with a "half sandwich"-type Ru(II) coordination compound
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
登録日2020-01-10
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献High-resolution crystal structures of a "half sandwich"-type Ru(II) coordination compound bound to hen egg-white lysozyme and proteinase K.
J.Biol.Inorg.Chem., 25, 2020

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