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3DID
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BU of 3did by Molmil
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 4.6 soaked
Descriptor: ACETATE ION, GLYCEROL, Transthyretin, ...
Authors:Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R.
Deposit date:2008-06-20
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition.
J.Biol.Chem., 285, 2010
4X8T
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BU of 4x8t by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 7-chloro-3,4-dihydroisoquinolin-1(2H)-one
Descriptor: 7-chloro-3,4-dihydroisoquinolin-1(2H)-one, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4YMG
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BU of 4ymg by Molmil
Crystal structure of SAM-bound Podospora anserina methyltransferase PaMTH1
Descriptor: MAGNESIUM ION, PHOSPHATE ION, Putative SAM-dependent O-methyltranferase, ...
Authors:Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H.
Deposit date:2015-03-06
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
4WZP
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BU of 4wzp by Molmil
Ser65 phosphorylated ubiquitin, major conformation
Descriptor: SULFATE ION, ubiquitin
Authors:Wauer, T, Wagstaff, J, Freund, S.M.V, Komander, D.
Deposit date:2014-11-20
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ubiquitin Ser65 phosphorylation affects ubiquitin structure, chain assembly and hydrolysis.
Embo J., 34, 2015
4X11
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BU of 4x11 by Molmil
JC Polyomavirus genotype 3 VP1 in complex with GD1a oligosaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4X1S
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BU of 4x1s by Molmil
The crystal structure of mupain-1-16-D9A in complex with murinised human uPA at pH7.4
Descriptor: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
Authors:Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
Deposit date:2014-11-25
Release date:2015-10-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X10
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BU of 4x10 by Molmil
JC Polyomavirus genotype 3 VP1 in complex with GM2 oligosaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4X4K
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BU of 4x4k by Molmil
Structure of laccase from Botrytis aclada with full copper content
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Laccase, ...
Authors:Osipov, E.M, Polyakov, K.M, Tikhonova, T.V, Kittl, R, Shleev, S.V, Ludwig, R, Popov, V.O.
Deposit date:2014-12-03
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Incorporation of copper ions into crystals of T2 copper-depleted laccase from Botrytis aclada.
Acta Crystallogr.,Sect.F, 71, 2015
4WTW
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BU of 4wtw by Molmil
Crystal structure of the third FnIII domain of integrin beta4
Descriptor: 1,2-ETHANEDIOL, Integrin beta-4, PENTAETHYLENE GLYCOL, ...
Authors:Alonso-Garcia, N, Urien, H, de Pereda, J.M.
Deposit date:2014-10-30
Release date:2015-02-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.606 Å)
Cite:Combination of X-ray crystallography, SAXS and DEER to obtain the structure of the FnIII-3,4 domains of integrin alpha6beta4
Acta Crystallogr.,Sect.D, 71, 2015
4YMH
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BU of 4ymh by Molmil
Crystal structure of SAH-bound Podospora anserina methyltransferase PaMTH1
Descriptor: DI(HYDROXYETHYL)ETHER, Putative SAM-dependent O-methyltranferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H.
Deposit date:2015-03-06
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.876 Å)
Cite:Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
4X13
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BU of 4x13 by Molmil
JC Polyomavirus genotype 3 VP1 in complex with LSTc pentasaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4X1N
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BU of 4x1n by Molmil
The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4
Descriptor: Urokinase-type plasminogen activator, mupain-1-16, piperidine-1-carboximidamide
Authors:Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
Deposit date:2014-11-25
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014
4X8V
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BU of 4x8v by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate)
Descriptor: CALCIUM ION, Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4X09
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BU of 4x09 by Molmil
Structure of human RNase 6 in complex with sulphate anions
Descriptor: GLYCEROL, Ribonuclease K6, SULFATE ION
Authors:Prats-Ejarque, G, Arranz-Trullen, J, Blanco, J.A, Pulido, D, Moussaoui, M, Boix, E.
Deposit date:2014-11-21
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.722 Å)
Cite:The first crystal structure of human RNase 6 reveals a novel substrate-binding and cleavage site arrangement.
Biochem.J., 473, 2016
4X8U
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BU of 4x8u by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID
Descriptor: 5-chloro-1H-indole-2-carboxylic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4HW4
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BU of 4hw4 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 BH3 peptide
Authors:Friberg, A, Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
3GF4
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BU of 3gf4 by Molmil
Structure of UDP-galactopyranose mutase bound to UDP-glucose
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ...
Authors:Gruber, T.D, Borrok, M.J, Kiessling, L.L, Forest, K.T.
Deposit date:2009-02-26
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Ligand binding and substrate discrimination by UDP-galactopyranose mutase.
J.Mol.Biol., 391, 2009
4X12
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BU of 4x12 by Molmil
JC Polyomavirus genotype 3 VP1 in complex with GD1b oligosaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4X8S
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BU of 4x8s by Molmil
FACTOR VIIA IN COMPLEX WITH THE INHIBITOR 4-BROMO-2-METHOXYPHENOL
Descriptor: 4-bromo-2-methoxyphenol, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A.
Deposit date:2014-12-10
Release date:2015-03-25
Last modified:2015-04-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.
J.Med.Chem., 58, 2015
4YYP
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BU of 4yyp by Molmil
Crystal structure of human PLK4-PB3 in complex with STIL-CC
Descriptor: CHLORIDE ION, SCL-interrupting locus protein, Serine/threonine-protein kinase PLK4
Authors:Imseng, S, Arquint, C, Gabryjonczyk, A, Boehm, R, Sauer, E, Hiller, S, Nigg, E.A, Maier, T.
Deposit date:2015-03-24
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:STIL binding to Polo-box 3 of PLK4 regulates centriole duplication.
Elife, 4, 2015
3ELZ
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BU of 3elz by Molmil
Crystal structure of Zebrafish Ileal Bile Acid-Bindin Protein complexed with cholic acid (crystal form A).
Descriptor: CHOLIC ACID, ileal Bile Acid-Binding Protein
Authors:Capaldi, S, Saccomani, G, Fessas, D, Signorelli, M, Perduca, M, Monaco, H.L.
Deposit date:2008-09-23
Release date:2009-01-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The X-Ray structure of zebrafish (Danio rerio) ileal bile acid-binding protein reveals the presence of binding sites on the surface of the protein molecule.
J.Mol.Biol., 385, 2009
3ELX
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BU of 3elx by Molmil
Crystal structure of apo Zebrafish Ileal Bile Acid-Binding Protein
Descriptor: 1,2-ETHANEDIOL, Ileal bile acid-binding protein
Authors:Capaldi, S, Saccomani, G, Fessas, D, Signorelli, M, Perduca, M, Monaco, H.L.
Deposit date:2008-09-23
Release date:2009-01-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The X-Ray structure of zebrafish (Danio rerio) ileal bile acid-binding protein reveals the presence of binding sites on the surface of the protein molecule.
J.Mol.Biol., 385, 2009
4X0V
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BU of 4x0v by Molmil
Structure of a GH5 family lichenase from Caldicellulosiruptor sp. F32
Descriptor: Beta-1,3-1,4-glucanase
Authors:Meng, D, Liu, X, Wang, X, Li, F, Feng, Y.
Deposit date:2014-11-24
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:Structural Insights into the Substrate Specificity of a Glycoside Hydrolase Family 5 Lichenase from Caldicellulosiruptor sp. F32
Biochem. J., 2017
4X14
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BU of 4x14 by Molmil
JC Mad-1 polyomavirus VP1 in complex with GM1 oligosaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-11-24
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity.
J.Virol., 89, 2015
4X1Q
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BU of 4x1q by Molmil
The crystal structure of mupain-1 in complex with murinised human uPA at pH7.4
Descriptor: Urokinase-type plasminogen activator, mupain-1
Authors:Jiang, L, Zhao, B, Xu, P, Andreasen, P, Huang, M.
Deposit date:2014-11-25
Release date:2015-03-25
Last modified:2015-11-04
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Plos One, 9, 2014

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数据于2024-07-17公开中

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