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3NG9
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BU of 3ng9 by Molmil
Structure to Function Correlations for Adeno-associated Virus Serotype 1
分子名称: 6-AMINOPYRIMIDIN-2(1H)-ONE, ADENINE, Capsid protein
著者Govindasamy, L, Miller, E.B, Gurda, B, McKenna, R, Zolotukhin, S, Muzyczka, N, Agbandje-McKenna, M.
登録日2010-06-11
公開日2011-12-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure to Function Correlations for Adeno-Associated Virus serotype 1
To be Published
2COJ
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BU of 2coj by Molmil
Crystal structure of reduced human cytosolic branched-chain aminotransferase complexed with gabapentin
分子名称: MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID, ...
著者Goto, M.
登録日2005-05-17
公開日2005-08-30
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural determinants for branched-chain aminotransferase isozyme-specific inhibition by the anticonvulsant drug gabapentin
J.Biol.Chem., 280, 2005
7KIA
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BU of 7kia by Molmil
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19
分子名称: 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ...
著者Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A.
登録日2020-10-23
公開日2021-02-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
3ZWF
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BU of 3zwf by Molmil
Crystal structure of Human tRNase Z, short form (ELAC1).
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ...
著者Allerston, C.K, Krojer, T, Berridge, G, Burgess-Brown, N, Chaikuad, A, Chalk, R, Elkins, J.M, Gileadi, C, Latwiel, S.V.A, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
登録日2011-07-29
公開日2011-08-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Human Trnase Z, Short Form (Elac1).
To be Published
4H8Z
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BU of 4h8z by Molmil
Radiation damage study of lysozyme - 0.21 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A, Snell, E.H.
登録日2012-09-24
公開日2013-05-15
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.1998 Å)
主引用文献Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4H9E
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BU of 4h9e by Molmil
Radiation damage study of lysozyme - 0.84 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A, Snell, E.H.
登録日2012-09-24
公開日2013-05-15
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.1998 Å)
主引用文献Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4GZV
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BU of 4gzv by Molmil
Crystal structure of a lipocalin family protein (BACOVA_00364) from Bacteroides ovatus ATCC 8483 at 1.95 A resolution
分子名称: ACETATE ION, GLYCEROL, SODIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2012-09-06
公開日2012-11-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a hypothetical protein (BACOVA_00364) from Bacteroides ovatus ATCC 8483 at 1.95 A resolution
To be published
3ZX3
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BU of 3zx3 by Molmil
Crystal Structure and Domain Rotation of NTPDase1 CD39
分子名称: ACETIC ACID, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 1, ...
著者Zebisch, M, Schaefer, P, Straeter, N.
登録日2011-08-04
公開日2011-11-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic Evidence for a Domain Motion in Rat Nucleoside Triphosphate Diphosphohydrolase (Ntpdase) 1.
J.Mol.Biol., 415, 2012
4Y8U
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BU of 4y8u by Molmil
Yeast 20S proteasome beta2-H116D mutant in complex with Ac-PAD-ep
分子名称: Ac-PAD-ep, CHLORIDE ION, MAGNESIUM ION, ...
著者Huber, E.M, Groll, M.
登録日2015-02-16
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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
4PWH
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BU of 4pwh by Molmil
Crystal structure of V30M mutant human transthyretin complexed with caffeic acid 1,1-dimethylallyl ester
分子名称: 3-methylbut-2-en-1-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, CALCIUM ION, Transthyretin
著者Yokoyama, T, Kosaka, Y, Mizuguchi, M.
登録日2014-03-20
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Inhibitory Activities of Propolis and Its Promising Component, Caffeic Acid Phenethyl Ester, against Amyloidogenesis of Human Transthyretin
J.Med.Chem., 57, 2014
4Q1L
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BU of 4q1l by Molmil
Crystal structure of Leucurolysin-a complexed with an endogenous tripeptide (QSW).
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Ferreira, R.N, Sanchez, E.O.F, Pimenta, A.M.C, Nagem, R.A.P.
登録日2014-04-03
公開日2015-04-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Leucurolysin-a complexed with an endogenous tripeptide (QSW).
To be Published
1PXL
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BU of 1pxl by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine
分子名称: 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, Cell division protein kinase 2
著者Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D.
登録日2003-07-04
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
1FSX
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BU of 1fsx by Molmil
THE X-RAY STRUCTURE DETERMINATION OF BOVINE CARBONMONOXY HB AT 2.1 A RESOLUTION AND ITS RELATIONSHIP TO THE QUATERNARY STRUCTURE OF OTHER HB CRYSTAL FORMS
分子名称: CARBON MONOXIDE, HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, ...
著者Safo, M.K, Abraham, D.J.
登録日2000-09-11
公開日2001-06-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The X-ray structure determination of bovine carbonmonoxy hemoglobin at 2.1 A resoultion and its relationship to the quaternary structures of other hemoglobin crystal froms.
Protein Sci., 10, 2001
3S9J
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BU of 3s9j by Molmil
Crystal structure of a member of duf4221 family (BVU_1028) from Bacteroides vulgatus atcc 8482 at 1.75 A resolution
分子名称: FORMIC ACID, GLYCEROL, Member of DUF4221 family, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2011-06-01
公開日2011-06-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a Member of DUF4221 family (BVU_1028) from Bacteroides vulgatus ATCC 8482 at 1.75 A resolution
To be published
3NO3
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BU of 3no3 by Molmil
Crystal structure of a glycerophosphodiester phosphodiesterase (BDI_0402) from Parabacteroides distasonis ATCC 8503 at 1.89 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-06-24
公開日2010-07-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of a glycerophosphodiester phosphodiesterase (BDI_0402) from Parabacteroides distasonis ATCC 8503 at 1.89 A resolution
To be published
4H8Y
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BU of 4h8y by Molmil
Radiation damage study of lysozyme- 0.14 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A, Snell, E.H.
登録日2012-09-24
公開日2013-05-15
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.1998 Å)
主引用文献Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4H93
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BU of 4h93 by Molmil
Radiation damage study of lysozyme - 0.49 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A, Snell, E.H.
登録日2012-09-24
公開日2013-05-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.2003 Å)
主引用文献Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
4H9A
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BU of 4h9a by Molmil
Radiation damage study of lysozyme - 0.63 MGy
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C
著者Sutton, K.A, Snell, E.H.
登録日2012-09-24
公開日2013-05-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.1997 Å)
主引用文献Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
5L5V
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BU of 5l5v by Molmil
'Yeast 20S proteasome with human beta5i (1-138; V31M) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 18
分子名称: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
著者Groll, M, Huber, E.M.
登録日2016-05-28
公開日2016-11-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
7KG8
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BU of 7kg8 by Molmil
Structure of human PARG complexed with PARG-061
分子名称: 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one, CACODYLATE ION, DIMETHYL SULFOXIDE, ...
著者Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A.
登録日2020-10-16
公開日2021-03-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
1QGW
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BU of 1qgw by Molmil
CRYSTAL STRUCTURE OF PHYCOERYTHRIN 545 FROM THE MARINE CRYPTOPHYTE RHODOMONAS CS24
分子名称: 15,16-DIHYDROBILIVERDIN, CHLORIDE ION, MAGNESIUM ION, ...
著者Harrop, S.J, Wilk, K.E, Hiller, R.G, Curmi, P.M.G.
登録日1999-05-10
公開日1999-05-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Evolution of a light-harvesting protein by addition of new subunits and rearrangement of conserved elements: crystal structure of a cryptophyte phycoerythrin at 1.63-A resolution.
Proc.Natl.Acad.Sci.USA, 96, 1999
2W26
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Factor Xa in complex with BAY59-7939
分子名称: 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION
著者Roehrig, S, Straub, A, Pohlmann, J, Lampe, T, Pernerstorfer, J, Schlemmer, K, Reinemer, P, Perzborn, E, Schaefer, M.
登録日2008-10-24
公開日2008-11-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of the Novel Antithrombotic Agent 5-Chloro-N-({(5S)-2-Oxo-3- [4-(3-Oxomorpholin-4-Yl)Phenyl]-1,3-Oxazolidin-5-Yl}Methyl)Thiophene-2- Carboxamide (Bay 59-7939): An Oral, Direct Factor Xa Inhibitor.
J.Med.Chem., 48, 2005
1CBL
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BU of 1cbl by Molmil
THE 1.9 ANGSTROM STRUCTURE OF DEOXY-BETA4 HEMOGLOBIN: ANALYSIS OF THE PARTITIONING OF QUATERNARY-ASSOCIATED AND LIGAND-INDUCED CHANGES IN TERTIARY STRUCTURE
分子名称: HEMOGLOBIN BETA 4 (DEOXY), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Borgstahl, G.E.O, Arnone, A.
登録日1993-02-18
公開日1994-07-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.9 A structure of deoxy beta 4 hemoglobin. Analysis of the partitioning of quaternary-associated and ligand-induced changes in tertiary structure.
J.Mol.Biol., 236, 1994
4Y71
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Factor Xa complex with GTC000398
分子名称: 6-chloro-N-{(3S)-1-[(2S)-1-(4-methyl-5-oxo-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulf onamide, CALCIUM ION, Coagulation factor X
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Factor Xa complex with GTC000398
To be Published

243083

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