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5QFB
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_PKOOA000283c
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
1LCF
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CRYSTAL STRUCTURE OF COPPER-AND OXALATE-SUBSTITUTED HUMAN LACTOFERRIN AT 2.0 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, COPPER (II) ION, ...
著者Smith, C.A, Anderson, B.F, Baker, H.M, Baker, E.N.
登録日1994-01-11
公開日1994-08-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of copper- and oxalate-substituted human lactoferrin at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
1CX8
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BU of 1cx8 by Molmil
CRYSTAL STRUCTURE OF THE ECTODOMAIN OF HUMAN TRANSFERRIN RECEPTOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SAMARIUM (III) ION, TRANSFERRIN RECEPTOR PROTEIN
著者Lawrence, C.M, Ray, S, Babyonyshev, M, Galluser, R, Borhani, D, Harrison, S.C.
登録日1999-08-28
公開日1999-09-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of the ectodomain of human transferrin receptor.
Science, 286, 1999
1KZE
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BU of 1kze by Molmil
Complex of MBP-C and bivalent Man-terminated glycopeptide
分子名称: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN C, ...
著者Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I.
登録日2002-02-06
公開日2002-07-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
4JSR
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BU of 4jsr by Molmil
Crystal Structure of human SIRT3 with ELT inhibitor 11c [N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide]
分子名称: N-{2-[1-(6-carbamoylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]ethyl}-N'-ethylthiophene-2,5-dicarboxamide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ...
著者Dai, H.
登録日2013-03-22
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3.
J.Med.Chem., 56, 2013
2EF9
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BU of 2ef9 by Molmil
Structural and mechanistic changes along an engineered path from metallo to non-metallo KDO8P synthase
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, PHOSPHOENOLPYRUVATE
著者Kona, F, Xu, X, Martin, P, Kuzmic, P, Gatti, D.L.
登録日2007-02-22
公開日2007-04-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mechanistic Changes along an Engineered Path from Metallo to Nonmetallo 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthases
Biochemistry, 46, 2007
1H96
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BU of 1h96 by Molmil
recombinant mouse L-chain ferritin
分子名称: CADMIUM ION, FERRITIN LIGHT CHAIN 1, SULFATE ION
著者Granier, T, Gallois, B, D'Estaintot, B.L, Dautant, A, Chevalier, J.M, Mellado, J.M, Beaumont, C, Santambrogio, P, Arosio, P, Precigoux, G.
登録日2001-02-28
公開日2001-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Mouse L-Chain Ferritin at 1.6 A Resolution
Acta Crystallogr.,Sect.D, 57, 2001
2I35
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Crystal structure of rhombohedral crystal form of ground-state rhodopsin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, RETINAL, ...
著者Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K.
登録日2006-08-17
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3G6Z
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BU of 3g6z by Molmil
Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
211D
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BU of 211d by Molmil
THE CRYSTAL AND MOLECULAR STRUCTURE OF A NEW Z-DNA CRYSTAL FORM: D[CGT(2-NH2-A) CG] AND ITS PLATINATED DERIVATIVE
分子名称: DNA (5'-D(*CP*GP*TP*(1AP)P*CP*(PT(NH3)3)G)-3'), PLATINUM TRIAMINE ION, SPERMINE
著者Parkinson, G.N, Arvantis, G.M, Lessinger, L, Ginell, S.L, Jones, R, Gaffney, B, Berman, H.M.
登録日1995-06-13
公開日1996-03-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal and molecular structure of a new Z-DNA crystal form: d[CGT(2-NH2-A)CG] and its platinated derivative.
Biochemistry, 34, 1995
4IQC
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BU of 4iqc by Molmil
P3121 crystal form of FKBP12.6
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B
著者Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G.
登録日2013-01-11
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6.
Acta Crystallogr.,Sect.D, 70, 2014
2I36
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BU of 2i36 by Molmil
Crystal structure of trigonal crystal form of ground-state rhodopsin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, Rhodopsin, ...
著者Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K.
登録日2006-08-17
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1OBN
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BU of 1obn by Molmil
ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE-NO COMPLEX
分子名称: DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, HYDROXYAMINE, ...
著者Long, A.J, Clifton, I.J, Roach, P.L, Baldwin, J.E, Schofield, C.J, Rutledge, P.J.
登録日2003-01-31
公開日2004-02-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate.
Biochem.J., 372, 2003
3G72
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BU of 3g72 by Molmil
Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
2I6S
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BU of 2i6s by Molmil
Complement component C2a
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, Complement C2a fragment, ...
著者Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P.
登録日2006-08-29
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of complement component c2a: implications for convertase formation and substrate binding.
Structure, 14, 2006
2YPO
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BU of 2ypo by Molmil
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with phenylalanine bound in only one site
分子名称: GLYCEROL, MANGANESE (II) ION, PHENYLALANINE, ...
著者Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J.
登録日2012-10-31
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis.
J.Mol.Biol., 425, 2013
1YJW
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BU of 1yjw by Molmil
Crystal Structure Of Quinupristin Bound To The G2099A Mutant 50S Ribosomal Subunit Of Haloarcula Marismortui
分子名称: 23S RIBOSOMAL RNA, 50S ribosomal protein L10, 50S ribosomal protein L10e, ...
著者Tu, D, Blaha, G, Moore, P.B, Steitz, T.A.
登録日2005-01-15
公開日2005-04-26
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of Mlsbk Antibiotics Bound to Mutated Large Ribosomal Subunits Provide a Structural Explanation for Resistance.
Cell(Cambridge,Mass.), 121, 2005
2I5J
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BU of 2i5j by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with DHBNH, an RNASE H inhibitor
分子名称: (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE, MAGNESIUM ION, Reverse transcriptase/ribonuclease H P51 subunit, ...
著者Himmel, D.M, Sarafianos, S.G, Knight, J.L, Levy, R.M, Arnold, E.
登録日2006-08-24
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site.
Acs Chem.Biol., 1, 2006
1AHO
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THE AB INITIO STRUCTURE DETERMINATION AND REFINEMENT OF A SCORPION PROTEIN TOXIN
分子名称: TOXIN II
著者Smith, G.D, Blessing, R.H, Ealick, S.E, Fontecilla-Camps, J.C, Hauptman, H.A, Housset, D, Langs, D.A, Miller, R.
登録日1997-04-08
公開日1997-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Ab initio structure determination and refinement of a scorpion protein toxin.
Acta Crystallogr.,Sect.D, 53, 1997
2I6Q
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BU of 2i6q by Molmil
Complement component C2a
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C2a fragment, ...
著者Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P.
登録日2006-08-29
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of complement component c2a: implications for convertase formation and substrate binding.
Structure, 14, 2006
1GO9
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Monitoring the structural Consequences of Phe12-->D-Phe12 and Leu15-->Aib15 substitution in h/r Corticotropin Releasing Hormone: Implications for Design of CRH antagonists.
分子名称: CORTICOTROPIN RELEASING HORMONE
著者Spyroulias, G.A, Papazacharias, S, Pairas, G, Cordopatis, P.
登録日2001-10-20
公開日2001-10-31
最終更新日2016-12-21
実験手法SOLUTION NMR
主引用文献Monitoring the Structural Consequences of Phe12-->D-Phe and Leu15-->Aib Substitution in Human/Rat Corticotropin Releasing Hormone. Implications for Design of Crh Antagonists.
Eur.J.Biochem., 269, 2002
1NU4
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U1A RNA binding domain at 1.8 angstrom resolution reveals a pre-organized C-terminal helix
分子名称: MAGNESIUM ION, MALONIC ACID, U1A RNA binding domain
著者Rupert, P.B, Xiao, H, Ferre-D'Amare, A.R.
登録日2003-01-30
公開日2003-02-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献U1A RNA-binding domain at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
3G70
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Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
4L4V
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Structure of human MAIT TCR in complex with human MR1-RL-6-Me-7-OH
分子名称: 1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
著者Patel, O, Kjer-Nielsen, L, Le Nours, J, Eckle, S.B.G, Birkinshaw, R.W, Beddoe, T, Corbett, A.J, Liu, L, Miles, J.J, Meehan, B, Reantragoon, R, Sandoval-Romero, M.L, Sullivan, L.C, Brooks, A.G, Chen, Z, Fairlie, D.P, McCluskey, J, Rossjohn, J.
登録日2013-06-09
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Recognition of vitamin B metabolites by mucosal-associated invariant T cells.
Nat Commun, 4, 2013
3ZDR
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Structure of the Alcohol dehydrogenase (ADH) domain of a bifunctional ADHE dehydrogenase from Geobacillus thermoglucosidasius NCIMB 11955
分子名称: ALCOHOL DEHYDROGENASE DOMAIN OF THE BIFUNCTIONAL ACETALDEHYDE DEHYDROGENASE, GLYCEROL, SULFATE ION, ...
著者Extance, J, Crennell, S.J, Eley, K, Cripps, R, Hough, D.W, Danson, M.J.
登録日2012-11-30
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.504 Å)
主引用文献Structure of a Bifunctional Alcohol Dehydrogenase Involved in Bioethanol Generation in Geobacillus Thermoglucosidasius
Acta Crystallogr.,Sect.D, 69, 2013

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