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2UWL
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BU of 2uwl by Molmil
Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa
分子名称: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, COAGULATION FACTOR X
著者Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P.
登録日2007-03-22
公開日2007-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
4CAJ
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BU of 4caj by Molmil
Crystallographic structure of the mouse SIGN-R1 CRD domain in complex with sialic acid
分子名称: CALCIUM ION, CD209 ANTIGEN-LIKE PROTEIN B, CHLORIDE ION, ...
著者Silva-Martin, N, Bartual, S.G, Hermoso, J.A.
登録日2013-10-08
公開日2014-10-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.191 Å)
主引用文献Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1
Structure, 22, 2014
1PJR
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BU of 1pjr by Molmil
STRUCTURE OF DNA HELICASE
分子名称: PCRA
著者Subramanya, H.S, Bird, L.E, Brannigan, J.A, Wigley, D.B.
登録日1996-10-11
公開日1997-12-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a DExx box DNA helicase.
Nature, 384, 1996
4BPA
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BU of 4bpa by Molmil
Crystal structure of AmpDh2 from Pseudomonas aeruginosa in complex with NAG-NAM-NAG-NAM tetrasaccharide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, AMPDH2, ZINC ION
著者Artola-Recolons, C, Martinez-Caballero, S, Lee, M, Carrasco-Lopez, C, Hesek, D, Spink, E, Lastochkin, E, Zhang, W, Hellman, L, Boggess, B, Mobashery, S, Hermoso, J.A.
登録日2013-05-23
公開日2013-07-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Reaction Products and the X-Ray Structure of Ampdh2, a Virulence Determinant of Pseudomonas Aeruginosa.
J.Am.Chem.Soc., 135, 2013
4CAF
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BU of 4caf by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 34a)
分子名称: 2-oxopentadecyl-CoA, 4-[(2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine, AMMONIUM ION, ...
著者Rackham, M.D, Brannigan, J.A, Rangachari, K, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
登録日2013-10-08
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Synthesis of High Affinity Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (Lelp).
J.Med.Chem., 57, 2014
1PY2
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BU of 1py2 by Molmil
Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2
分子名称: 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID, Interleukin-2, ZINC ION
著者Thanos, C.D, Randal, M, Wells, J.A.
登録日2003-07-07
公開日2004-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
4C7I
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BU of 4c7i by Molmil
Leismania major N-myristoyltransferase in complex with a peptidomimetic (-OH) molecule
分子名称: DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
著者Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W.
登録日2013-09-20
公開日2014-09-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
1DE9
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BU of 1de9 by Molmil
HUMAN APE1 ENDONUCLEASE WITH BOUND ABASIC DNA AND MN2+ ION
分子名称: 5'-d(*CP*TP*AP*C)-3', 5'-d(*GP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-d(P*(3DR)P*GP*AP*TP*C)-3', ...
著者Mol, C.D, Izumi, T, Mitra, S, Tainer, J.A.
登録日1999-11-13
公開日2000-02-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献DNA-bound structures and mutants reveal abasic DNA binding by APE1 and DNA repair coordination
Nature, 403, 2000
1DEW
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BU of 1dew by Molmil
CRYSTAL STRUCTURE OF HUMAN APE1 BOUND TO ABASIC DNA
分子名称: 5'-D(*GP*CP*GP*TP*CP*CP*(3DR)P*CP*GP*AP*CP*GP*AP*CP*G)-3', 5'-D(*GP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*C)-3', MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE, ...
著者Mol, C.D, Izumi, T, Mitra, S, Tainer, J.A.
登録日1999-11-15
公開日2000-02-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献DNA-bound structures and mutants reveal abasic DNA binding by APE1 and DNA repair coordination
Nature, 403, 2000
1Q5H
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BU of 1q5h by Molmil
Human dUTP Pyrophosphatase complex with dUDP
分子名称: DEOXYURIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, dUTP pyrophosphatase
著者Mol, C.D, Harris, J.M, McIntosh, E.M, Tainer, J.A.
登録日2003-08-07
公開日2003-08-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human dUTP pyrophosphatase: uracil recognition by a Beta hairpin and active sites formed by three separate subunits
Structure, 4, 1996
4BUR
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BU of 4bur by Molmil
Crystal structure of the reduced human Apoptosis inducing factor complexed with NAD
分子名称: APOPTOSIS INDUCING FACTOR 1, MITOCHONDRIAL, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Martinez-Julvez, M, Herguedas, B, Hermoso, J.A, Ferreira, P, Villanueva, R, Medina, M.
登録日2013-06-23
公開日2014-07-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural Insights Into the Coenzyme Mediated Monomer-Dimer Transition of the Pro-Apoptotic Apoptosis Inducing Factor.
Biochemistry, 53, 2014
1YI1
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BU of 1yi1 by Molmil
Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Tribenuron methyl
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ETHYL DIHYDROGEN DIPHOSPHATE, ...
著者McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G.
登録日2005-01-10
公開日2006-01-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase
Proc.Natl.Acad.Sci.Usa, 103, 2006
4BXW
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BU of 4bxw by Molmil
Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis
分子名称: COAGULATION FACTOR V, FACTOR XA, GLYCEROL, ...
著者Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A.
登録日2013-07-16
公開日2013-07-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis.
Blood, 122, 2013
4C2Y
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BU of 4c2y by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA co-factor
分子名称: CITRIC ACID, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE 1, ...
著者Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W.
登録日2013-08-20
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells.
Nat.Commun., 5, 2014
2VIM
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BU of 2vim by Molmil
X-ray structure of Fasciola hepatica thioredoxin
分子名称: THIOREDOXIN
著者Line, K, Isupov, M.N, Garcia-Rodriguez, E, Maggioli, G, Parra, F, Littlechild, J.A.
登録日2007-12-05
公開日2008-07-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献The Fasciola Hepatica Thioredoxin: High Resolution Structure Reveals Two Oxidation States.
Mol.Biochem.Parasitol., 161, 2008
1PYX
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BU of 1pyx by Molmil
GSK-3 Beta complexed with AMP-PNP
分子名称: Glycogen synthase kinase-3 beta, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M.
登録日2003-07-09
公開日2003-10-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural characterization of the GSK-3beta active site using selective and non-selective ATP-mimetic inhibitors
J.Mol.Biol., 333, 2003
2XLL
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BU of 2xll by Molmil
The crystal structure of bilirubin oxidase from Myrothecium verrucaria
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIRUBIN OXIDASE, COPPER (II) ION
著者McNamara, T.P, Lowe, E.D, Cracknell, J.A, Blanford, C.F.
登録日2010-07-21
公開日2011-04-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.305 Å)
主引用文献Bilirubin Oxidase from Myrothecium Verrucaria: X- Ray Determination of the Complete Crystal Structure and a Rational Surface Modification for Enhanced Electrocatalytic O(2) Reduction.
Dalton Trans, 40, 2011
1Q5U
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BU of 1q5u by Molmil
HUMAN DUTP PYROPHOSPHATASE
分子名称: dUTP pyrophosphatase
著者Mol, C.D, Harris, J.M, Mcintosh, E.M, Tainer, J.A.
登録日2003-08-11
公開日2003-08-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human dUTP Pyrophosphatase: Uracil Recognition by a Beta Hairpin and Active Sites Formed by Three Separate Subunits
Structure, 4, 1996
4BRZ
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BU of 4brz by Molmil
Haloalkane dehalogenase
分子名称: CHLORIDE ION, HALOALKANE DEHALOGENASE
著者Novak, H.R, Sayer, C, Isupov, M, Gotz, D, Spragg, A.M, Littlechild, J.A.
登録日2013-06-06
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Biochemical and Structural Characterisation of a Haloalkane Dehalogenase from a Marine Rhodobacteraceae.
FEBS Lett., 588, 2014
4C9D
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BU of 4c9d by Molmil
Cas6 (TTHB231) product complex
分子名称: CAS6B, R3 REPEAT RNA CLEAVAGE PRODUCT
著者Jinek, M, Niewoehner, O, Doudna, J.A.
登録日2013-10-02
公開日2013-11-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Evolution of CRISPR RNA recognition and processing by Cas6 endonucleases.
Nucleic Acids Res., 42, 2014
2XHL
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Structure of a functional derivative of Clostridium botulinum neurotoxin type B
分子名称: BOTULINUM NEUROTOXIN B HEAVY CHAIN, BOTULINUM NEUROTOXIN B LIGHT CHAIN, ZINC ION
著者Masuyer, G, Beard, M, Cadd, V.A, Chaddock, J.A, Acharya, K.R.
登録日2010-06-18
公開日2010-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and Activity of a Functional Derivative of Clostridium Botulinum Neurotoxin B.
J.Struct.Biol., 174, 2011
2XID
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BU of 2xid by Molmil
Pilus-presented adhesin, Spy0125 (Cpa), P212121 form (DLS)
分子名称: ANCILLARY PROTEIN 1
著者Pointon, J.A, Smith, W.D, Saalbach, G, Crow, A, Kehoe, M.A, Banfield, M.J.
登録日2010-06-28
公開日2010-08-04
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Highly Unusual Thioester Bond in a Pilus Adhesin Required for Efficient Host Cell Interaction
J.Biol.Chem., 285, 2010
1B89
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CLATHRIN HEAVY CHAIN PROXIMAL LEG SEGMENT (BOVINE)
分子名称: PROTEIN (CLATHRIN HEAVY CHAIN)
著者Ybe, J.A, Brodsky, F.M, Hofmann, K, Lin, K, Liu, S.-H, Chen, L, Earnest, T.N, Fletterick, R.J, Hwang, P.K.
登録日1999-05-27
公開日1999-06-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Clathrin self-assembly is mediated by a tandemly repeated superhelix.
Nature, 399, 1999
1B43
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FEN-1 FROM P. FURIOSUS
分子名称: PROTEIN (FEN-1)
著者Hosfield, D.J, Mol, C.D, Shen, B, Tainer, J.A.
登録日1999-01-05
公開日2000-01-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the DNA repair and replication endonuclease and exonuclease FEN-1: coupling DNA and PCNA binding to FEN-1 activity.
Cell(Cambridge,Mass.), 95, 1998
1ZUQ
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BU of 1zuq by Molmil
Contribution to Structure and Catalysis of Tyrosine 34 in Human Manganese Superoxide Dismutase
分子名称: MANGANESE (II) ION, Superoxide dismutase
著者Hearn, A.S, Perry, J.J, Cabelii, D.E, Tainer, J.A, Nick, H.S, Silverman, D.S.
登録日2005-05-31
公開日2006-05-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Contribution of human manganese superoxide dismutase tyrosine 34 to structure and catalysis.
Biochemistry, 48, 2009

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