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3I9G
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BU of 3i9g by Molmil
Crystal structure of the LT1009 (SONEPCIZUMAB) antibody Fab fragment in complex with sphingosine-1-phosphate
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, CALCIUM ION, MAGNESIUM ION, ...
著者Huxford, T.
登録日2009-07-10
公開日2009-09-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of sphingosine-1-phosphate in complex with a Fab fragment reveals metal bridging of an antibody and its antigen.
Proc.Natl.Acad.Sci.USA, 106, 2009
4XEB
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BU of 4xeb by Molmil
The structure of P. funicolosum Cel7A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glucanase, ...
著者Alahuhta, P.M, Lunin, V.V.
登録日2014-12-23
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering enhanced cellobiohydrolase activity
Nat Commun, 9(1), 2018
3INA
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BU of 3ina by Molmil
Crystal structure of heparin lyase I H151A mutant complexed with a dodecasaccharide heparin
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-3,6-di-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-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, CALCIUM ION, Heparin lyase I
著者Han, Y.H, Ryu, K.S, Kim, H.Y, Jeon, Y.H.
登録日2009-08-12
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural snapshots of heparin depolymerization by heparin lyase I
J.Biol.Chem., 284, 2009
3IN9
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BU of 3in9 by Molmil
Crystal structure of heparin lyase I complexed with disaccharide heparin
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparin lyase I
著者Han, Y.H, Ryu, K.S, Kim, H.Y, Jeon, Y.H.
登録日2009-08-12
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural snapshots of heparin depolymerization by heparin lyase I
J.Biol.Chem., 284, 2009
3KFA
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BU of 3kfa by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
分子名称: 3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide, Tyrosine-protein kinase ABL1
著者Zhou, T.
登録日2009-10-27
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
3K4Z
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BU of 3k4z by Molmil
Crystal Structure of the Cellulosomal CBM4 from Clostridium thermocellum Cellulase CbhA
分子名称: 1-O-phosphono-beta-D-glucopyranose, Glycoside hydrolase family 9, MAGNESIUM ION, ...
著者Alahuhta, P.M, Xu, Q, Himmel, M.E, Lunin, V.V.
登録日2009-10-06
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献The unique binding mode of cellulosomal CBM4 from Clostridium thermocellum cellobiohydrolase A.
J.Mol.Biol., 402, 2010
4YAB
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BU of 4yab by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)
分子名称: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAD
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BU of 4yad by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b)
分子名称: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBM
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BU of 4ybm by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide (7b)
分子名称: GLYCEROL, N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide, SULFATE ION, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-18
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBS
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BU of 4ybs by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g)
分子名称: DIMETHYL SULFOXIDE, N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YWZ
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BU of 4ywz by Molmil
Crystal structure of the extracellular receptor domain of the essential sensor kinase WalK from Staphylococcus aureus
分子名称: Sensor protein kinase WalK
著者Ji, Q, Wawrzak, Z, He, C.
登録日2015-03-21
公開日2016-03-30
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and mechanism of the essential two-component signal-transduction system WalKR in Staphylococcus aureus.
Nat Commun, 7, 2016
3JXT
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BU of 3jxt by Molmil
Crystal structure of the third PDZ domain of SAP-102 in complex with a fluorogenic peptide-based ligand
分子名称: ACETATE ION, Disks large homolog 3, Voltage-dependent calcium channel gamma-2 subunit
著者Sainlos, M, Olivier, N.B, Imperiali, B.
登録日2009-09-21
公開日2010-09-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Caged mono- and divalent ligands for light-assisted disruption of PDZ domain-mediated interactions.
J.Am.Chem.Soc., 135, 2013
4YAT
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BU of 4yat by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b)
分子名称: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ZINC ION
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-17
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBT
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BU of 4ybt by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-2-oxo-6-[3-(oxolan-3-ylmethoxy)phenoxy]-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1-methyl-1H-imidazole-4-sulfonamide (7l)
分子名称: DIMETHYL SULFOXIDE, N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
3KF4
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BU of 3kf4 by Molmil
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
分子名称: N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine, Tyrosine-protein kinase ABL1
著者Zhou, T.
登録日2009-10-27
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Chem.Biol.Drug Des., 75, 2010
4YAX
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BU of 4yax by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g)
分子名称: GLYCEROL, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, SULFATE ION, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-18
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YC9
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BU of 4yc9 by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i)
分子名称: GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ...
著者Poncet-Montange, G, Palmer, W, Jones, P.
登録日2015-02-19
公開日2015-06-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4ZBN
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BU of 4zbn by Molmil
Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-nerve growth factor, DNA (28-MER)
著者Davies, D.R, Edwards, T.E.
登録日2015-04-15
公開日2015-06-10
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor.
Structure, 23, 2015
3IKW
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BU of 3ikw by Molmil
Structure of Heparinase I from Bacteroides thetaiotaomicron
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Heparin lyase I
著者Garron, M.L, Cygler, M, Shaya, D.
登録日2009-08-06
公開日2009-09-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural snapshots of heparin depolymerization by heparin lyase I.
J.Biol.Chem., 284, 2009
1DPI
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BU of 1dpi by Molmil
STRUCTURE OF LARGE FRAGMENT OF ESCHERICHIA COLI DNA POLYMERASE I COMPLEXED WITH D/TMP
分子名称: DNA POLYMERASE I KLENOW FRAGMENT, ZINC ION
著者Beese, L, Ollis, D, Steitz, T.
登録日1987-08-11
公開日1987-10-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of large fragment of Escherichia coli DNA polymerase I complexed with dTMP.
Nature, 313, 1985
2IXA
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BU of 2ixa by Molmil
A-zyme, N-acetylgalactosaminidase
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ALPHA-N-ACETYLGALACTOSAMINIDASE, ...
著者Sulzenbacher, G, Liu, Q.P, Bourne, Y, Henrissat, B, Clausen, H.
登録日2006-07-07
公開日2007-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bacterial Glycosidases for the Production of Universal Red Blood Cells.
Nat.Biotechnol., 25, 2007
2HHD
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BU of 2hhd by Molmil
OXYGEN AFFINITY MODULATION BY THE N-TERMINI OF THE BETA-CHAINS IN HUMAN AND BOVINE HEMOGLOBIN
分子名称: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE, ...
著者Gilliland, G.L, Pechik, I, Fronticelli, C, Ji, X.
登録日1994-09-29
公開日1995-01-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic, molecular modeling, and biophysical characterization of the valine beta 67 (E11)-->threonine variant of hemoglobin.
Biochemistry, 35, 1996
2HHE
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BU of 2hhe by Molmil
OXYGEN AFFINITY MODULATION BY THE N-TERMINI OF THE BETA CHAINS IN HUMAN AND BOVINE HEMOGLOBIN
分子名称: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
著者Gilliland, G.L, Pechik, I, Fronticelli, C, Ji, X.
登録日1994-09-29
公開日1995-01-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chloride ion independence of the Bohr effect in a mutant human hemoglobin beta (V1M+H2deleted).
J.Biol.Chem., 269, 1994
2IXB
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BU of 2ixb by Molmil
Crystal structure of N-ACETYLGALACTOSAMINIDASE in complex with GalNAC
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ...
著者Sulzenbacher, G, Liu, Q.P, Bourne, Y, Henrissat, B, Clausen, H.
登録日2006-07-07
公開日2007-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacterial Glycosidases for the Production of Universal Red Blood Cells.
Nat.Biotechnol., 25, 2007
2K0N
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BU of 2k0n by Molmil
Solution Structure of Yeast Gal11p kix domain
分子名称: Mediator of RNA polymerase II transcription subunit 15
著者Arthanari, H, Frueh, D.P, Wagner, G.K, Naar, A.M.
登録日2008-02-04
公開日2008-03-25
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A nuclear receptor-like pathway regulating multidrug resistance in fungi.
Nature, 452, 2008

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