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5MWB
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BU of 5mwb by Molmil
Human Notch-2 EGF11-13
分子名称: CALCIUM ION, Neurogenic locus notch homolog protein 2, alpha-L-fucopyranose, ...
著者Suckling, R.J, Handford, P.A, Lea, S.M.
登録日2017-01-18
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands.
EMBO J., 36, 2017
8EOK
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BU of 8eok by Molmil
Structure of the C3bB proconvertase in complex with lufaxin and factor Xa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activated factor Xa heavy chain, Complement C3 beta chain, ...
著者Andersen, J.F, Lei, H.
登録日2022-10-03
公開日2023-08-30
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism.
Blood, 141, 2023
3CFW
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BU of 3cfw by Molmil
L-selectin lectin and EGF domains
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, L-selectin, ...
著者Mehta, P, Oganesyan, V, Terzyan, S, Mather, T, McEver, R.P.
登録日2008-03-04
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Glycan Bound to the Selectin Low Affinity State Engages Glu-88 to Stabilize the High Affinity State under Force.
J.Biol.Chem., 292, 2017
8ET0
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BU of 8et0 by Molmil
Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ...
著者Xu, S, Banerjee, S, Uddin, M.J, Goodman, M.C, Marnett, L.J.
登録日2022-10-15
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal complex of murine cycloxygenase-2 with alpaca nanobody F9
To Be Published
4IBL
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BU of 4ibl by Molmil
Rubidium Sites in Blood Coagulation Factor VIIa
分子名称: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ...
著者Vadivel, K, Schmidt, A, Cascio, D, Padmanabhan, K, Bajaj, S.P.
登録日2012-12-08
公開日2014-04-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium
Acta Crystallogr.,Sect.D, D77, 2021
4OTJ
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The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
分子名称: (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate, 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Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
登録日2014-02-13
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors.
Acs Chem.Biol., 11, 2016
8EPH
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BU of 8eph by Molmil
Crystal structure of human coagulation factor IXa (S195A), apo-form, DES-GLA
分子名称: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ...
著者Kolyadko, V.N, Krishnaswamy, S.
登録日2022-10-05
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
6Q9F
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BU of 6q9f by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, GLYCEROL, ...
著者Chowdhury, R, Pfeffer, I, Schofield, C.J.
登録日2018-12-18
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
To Be Published
6Q9I
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BU of 6q9i by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Factor X peptide fragment (39mer-4Ser)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, FORMIC ACID, ...
著者Chowdhury, R, Pfeffer, I, Schofield, C.J.
登録日2018-12-18
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献AspH-H679A.Factor X Complex
To Be Published
1QFK
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BU of 1qfk by Molmil
STRUCTURE OF HUMAN FACTOR VIIA AND ITS IMPLICATIONS FOR THE TRIGGERING OF BLOOD COAGULATION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COAGULATION FACTOR VIIA HEAVY CHAIN, ...
著者Pike, A.C.W, Brzozowski, A.M, Roberts, S.M, Olsen, O.H, Persson, E.
登録日1999-04-12
公開日1999-08-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of human factor VIIa and its implications for the triggering of blood coagulation.
Proc.Natl.Acad.Sci.USA, 96, 1999
6R2W
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BU of 6r2w by Molmil
Crystal structure of the super-active FVIIa variant VYT in complex with tissue factor
分子名称: CALCIUM ION, Coagulation factor VII, N-acetyl-D-phenylalanyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide, ...
著者Sorensen, A.B, Svensson, L.A, Gandhi, P.S.
登録日2019-03-19
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Beating tissue factor at its own game: Design and properties of a soluble tissue factor-independent coagulation factor VIIa.
J.Biol.Chem., 295, 2020
1TOZ
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BU of 1toz by Molmil
NMR structure of the human NOTCH-1 ligand binding region
分子名称: Neurogenic locus notch homolog protein 1
著者Hambleton, S, Valeyev, N.Y, Muranyi, A, Knott, V, Werner, J.M, Mcmichael, A.J, Handford, P.A, Downing, A.K.
登録日2004-06-15
公開日2004-10-12
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Structural and functional properties of the human notch-1 ligand binding region
STRUCTURE, 12, 2004
7BMI
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BU of 7bmi by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser)
分子名称: 3-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-20
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
J Fluor Chem, 247, 2021
7BMJ
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BU of 7bmj by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 5-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser)
分子名称: 5-fluoranylpyridine-2,4-dicarboxylic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-20
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases
J Fluor Chem, 247, 2021
4OTY
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BU of 4oty by Molmil
Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ...
著者Xu, S, Windsor, M.A, Banerjee, S, Marnett, L.J.
登録日2014-02-14
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.354 Å)
主引用文献Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib.
Bioorg.Med.Chem.Lett., 23, 2013
3ENS
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BU of 3ens by Molmil
Crystal structure of human FXA in complex with methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, Activated factor Xa heavy chain, ...
著者Klei, H.E.
登録日2008-09-25
公開日2008-12-30
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.
J.Med.Chem., 51, 2008
4PH9
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BU of 4ph9 by Molmil
The structure of Ibuprofen bound to cyclooxygenase-2
分子名称: 1,2-ETHANEDIOL, 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Orlando, B.J, Lucido, M.J, Malkowski, M.G.
登録日2014-05-05
公開日2014-11-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The structure of ibuprofen bound to cyclooxygenase-2.
J.Struct.Biol., 189, 2015
7E6J
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BU of 7e6j by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H725A in complex with Factor X peptide fragment (39mer-4Ser)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, GLYCEROL, PROPANOIC ACID, ...
著者Nakashima, Y, Brasnett, A, Brewitz, L, Schofield, C.J.
登録日2021-02-22
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human Oxygenase Variants Employing a Single Protein Fe II Ligand Are Catalytically Active.
Angew.Chem.Int.Ed.Engl., 60, 2021
3ELA
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BU of 3ela by Molmil
Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor
分子名称: CALCIUM ION, Coagulation factor VIIA heavy chain, Coagulation factor VIIA light chain, ...
著者Bjelke, J.R, Fodje, M, Svensson, L.A.
登録日2008-09-21
公開日2008-11-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity
J.Biol.Chem., 283, 2008
4M11
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BU of 4m11 by Molmil
Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ...
著者Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J.
登録日2013-08-02
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
4M10
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Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ...
著者Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J.
登録日2013-08-02
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
1TPG
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BU of 1tpg by Molmil
F1-G MODULE PAIR RESIDUES 1-91 (C83S) OF TISSUE-TYPE PLASMINOGEN ACTIVATOR (T-PA) (NMR, 298K, PH2.95, REPRESENTATIVE STRUCTURE)
分子名称: T-PLASMINOGEN ACTIVATOR F1-G
著者Smith, B.O, Downing, A.K, Driscoll, P.C, Dudgeon, T.J, Campbell, I.D.
登録日1995-06-14
公開日1995-09-15
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献The solution structure and backbone dynamics of the fibronectin type I and epidermal growth factor-like pair of modules of tissue-type plasminogen activator.
Structure, 3, 1995
6COX
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BU of 6cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 IN I222 SPACE GROUP
分子名称: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ...
著者Kurumbail, R, Stallings, W.
登録日1996-12-18
公開日1997-12-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
7SZ1
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BU of 7sz1 by Molmil
Cryo-EM structure of the extracellular module of the full-length EGFR L834R bound to EGF. "tips-separated" conformation
分子名称: Epidermal growth factor, Epidermal growth factor receptor
著者Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J.
登録日2021-11-25
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021
7SYD
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BU of 7syd by Molmil
Cryo-EM structure of the extracellular module of the full-length EGFR bound to EGF "tips-juxtaposed" conformation
分子名称: Epidermal growth factor, Epidermal growth factor receptor
著者Huang, Y, Ognjenovic, J, Karandur, D, Miller, K, Merk, A, Subramaniam, S, Kuriyan, J.
登録日2021-11-24
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A molecular mechanism for the generation of ligand-dependent differential outputs by the epidermal growth factor receptor.
Elife, 10, 2021

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