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1K8L
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XBY6: An analog of CK14 containing 6 dithiophosphate groups
分子名称: FIRST STRAND OF CK14 DNA DUPLEX, SECOND STRAND OF CK14 DNA DUPLEX
著者Volk, D.E, Yang, X, Fennewald, S.M, King, D.J, Bassett, S.E, Venkitachalam, S, Herzog, N, Luxon, B.A, Gorenstein, D.G.
登録日2001-10-24
公開日2003-04-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure and design of dithiophosphate backbone aptamers targeting transcription factor NF-kappaB
Bioorg.Chem., 30, 2002
1G7H
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CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME (HEL) COMPLEXED WITH THE MUTANT ANTI-HEL MONOCLONAL ANTIBODY D1.3(VLW92A)
分子名称: ANTI-HEN EGG WHITE LYSOZYME MONOCLONAL ANTIBODY D1.3, LYSOZYME C
著者Sundberg, E.J, Urrutia, M, Braden, B.C, Isern, J, Mariuzza, R.A.
登録日2000-11-10
公開日2000-11-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface.
Biochemistry, 39, 2000
1G7J
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CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME (HEL) COMPLEXED WITH THE MUTANT ANTI-HEL MONOCLONAL ANTIBODY D1.3 (VLW92H)
分子名称: ANTI-HEN EGG WHITE LYSOZYME MONOCLONAL ANTIBODY D1.3, LYSOZYME C
著者Sundberg, E.J, Urrutia, M, Braden, B.C, Isern, J, Mariuzza, R.A.
登録日2000-11-10
公開日2000-11-22
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface.
Biochemistry, 39, 2000
1K5K
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BU of 1k5k by Molmil
Homonuclear 1H Nuclear Magnetic Resonance Assignment and Structural Characterization of HIV-1 Tat Mal Protein
分子名称: TAT protein
著者Gregoire, C, Peloponese, J.M, Esquieu, D, Opi, S, Campbell, G, Solomiac, M, Lebrun, E, Lebreton, J, Loret, E.P.
登録日2001-10-11
公開日2002-06-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Homonuclear (1)H-NMR assignment and structural characterization of human immunodeficiency virus type 1 Tat Mal protein.
Biopolymers, 62, 2001
1U4G
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BU of 1u4g by Molmil
Elastase of Pseudomonas aeruginosa with an inhibitor
分子名称: CALCIUM ION, Elastase, N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-ALPHA-ASPARAGINE, ...
著者Bitto, E, McKay, D.B.
登録日2004-07-25
公開日2004-08-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Elastase of Pseudomonas aeruginosa with an inhibitor
To be Published, 2004
1K43
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10 Structure Ensemble of the 14-residue peptide RG-KWTY-NG-ITYE-GR (MBH12)
分子名称: MBH12
著者Pastor, M.T, Lopez de la Paz, M, Lacroix, E, Serrano, L, Perez-Paya, E.
登録日2001-10-05
公開日2001-10-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Combinatorial approaches: a new tool to search for highly structured beta-hairpin peptides.
Proc.Natl.Acad.Sci.USA, 99, 2002
4H90
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Radiation damage study of lysozyme - 0.28 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2023-09-20
実験手法X-RAY DIFFRACTION (1.1999 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
1K3O
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BU of 1k3o by Molmil
Crystal Structure Analysis of apo Glutathione S-Transferase
分子名称: GLUTATHIONE S-TRANSFERASE A1
著者Le Trong, I, Stenkamp, R.E, Ibarra, C, Atkins, W.M, Adman, E.T.
登録日2001-10-03
公開日2002-10-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.3-A resolution structure of human glutathione S-transferase with S-hexyl glutathione bound reveals possible extended ligandin binding site.
Proteins, 48, 2002
6HEB
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BU of 6heb by Molmil
Influenza A Virus N9 Neuraminidase complex with Oseltamivir (Tern).
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F.
登録日2018-08-20
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site.
To Be Published
4EOL
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BU of 4eol by Molmil
Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor RO3306
分子名称: (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ...
著者Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
登録日2012-04-14
公開日2013-02-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
4EOQ
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BU of 4eoq by Molmil
Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ...
著者Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
登録日2012-04-14
公開日2013-02-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
1K6J
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Crystal structure of Nmra, a negative transcriptional regulator (Monoclinic form)
分子名称: CHLORIDE ION, NmrA
著者Stammers, D.K, Ren, J, Leslie, K, Nichols, C.E, Lamb, H.K, Cocklin, S, Dodds, A, Hawkins, A.R.
登録日2001-10-16
公開日2002-02-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of the negative transcriptional regulator NmrA reveals a structural superfamily which includes the short-chain dehydrogenase/reductases.
EMBO J., 20, 2001
3I50
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BU of 3i50 by Molmil
Crystal structure of the West Nile Virus envelope glycoprotein in complex with the E53 antibody Fab
分子名称: Envelope glycoprotein, murine heavy chain (IgG3) of E53 monoclonal antibody Fab, murine kappa light chain of E53 monoclonal antibody Fab
著者Nybakken, G.E, Warren, J.T, Chen, B.R, Nelson, C.A, Fremont, D.H.
登録日2009-07-03
公開日2009-10-27
最終更新日2013-09-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for the preferential recognition of immature flaviviruses by a fusion-loop antibody.
Embo J., 28, 2009
2OFC
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BU of 2ofc by Molmil
The crystal structure of Sclerotium rolfsii lectin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
登録日2007-01-03
公開日2007-05-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Structural Basis for the Carbohydrate Recognition of the Sclerotium rolfsii Lectin
J.Mol.Biol., 368, 2007
6HFC
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BU of 6hfc by Molmil
Influenza A Virus N9 Neuraminidase Native (Tern).
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBON DIOXIDE, ...
著者Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F.
登録日2018-08-21
公開日2018-08-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation)
To Be Published
2G5T
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BU of 2g5t by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag
分子名称: 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID, Dipeptidyl peptidase 4
著者Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X.
登録日2006-02-23
公開日2006-07-04
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
3MXF
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BU of 3mxf by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1
分子名称: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2010-05-07
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selective inhibition of BET bromodomains.
Nature, 468, 2010
1K8J
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NMR STRUCTURE OF THE CK14 DNA DUPLEX: A PORTION OF THE KNOWN NF-kB SEQUENCE CK1
分子名称: FIRST STRAND OF CK14 DNA DUPLEX, SECOND STRAND OF CK14 DNA DUPLEX
著者Volk, D.E, Yang, X, Fennewald, S.M, King, D.J, Bassett, S.E, Venkitachalam, S, Herzog, N, Luxon, B.A, Gorenstein, D.G.
登録日2001-10-24
公開日2003-04-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure and design of dithiophosphate backbone aptamers targeting transcription factor NF-kappaB
Bioorg.Chem., 30, 2002
4MRY
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BU of 4mry by Molmil
Crystal Structure of Ca(2+)- discharged Y138F obelin mutant from Obelia longissima at 1.30 Angstrom resolution
分子名称: CALCIUM ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, Obelin
著者Natashin, P.V, Ding, W, Eremeeva, E.V, Markova, S.V, Lee, J, Vysotski, E.S, Liu, Z.J.
登録日2013-09-17
公開日2014-03-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Structures of the Ca2+-regulated photoprotein obelin Y138F mutant before and after bioluminescence support the catalytic function of a water molecule in the reaction.
Acta Crystallogr.,Sect.D, 70, 2014
6G0A
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BU of 6g0a by Molmil
The crystal structure of the Pol2 catalytic domain of DNA polymerase epsilon carrying a P301R substitution.
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*TP*AP*AP*CP*CP*GP*CP*GP*TP*TP*DC)-3'), ...
著者Parkash, V, Johansson, E.
登録日2018-03-16
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon.
Nat Commun, 10, 2019
1K8N
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BU of 1k8n by Molmil
NMR structure of the XBY2 DNA duplex, an analog of CK14 containing phosphorodithioate groups at C22 and C24
分子名称: FIRST STRAND OF CK14 DNA DUPLEX, SECOND STRAND OF CK14 DNA DUPLEX
著者Volk, D.E, Yang, X, Fennewald, S.M, King, D.J, Bassett, S.E, Venkitachalam, S, Herzog, N, Luxon, B.A, Gorenstein, D.G.
登録日2001-10-24
公開日2003-04-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure and design of dithiophosphate backbone aptamers targeting transcription factor NF-kappaB
Bioorg.Chem., 30, 2002
4H92
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Radiation damage study of lysozyme- 0.42 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2023-09-20
実験手法X-RAY DIFFRACTION (1.2002 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
3HNJ
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Crystal structure of the Zn-induced tetramer of the engineered cyt cb562 variant RIDC-2
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
著者Salgado, E.N, Lewis, R.A, Brodin, J, Tezcan, F.A.
登録日2009-05-31
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal templated design of protein interfaces.
Proc.Natl.Acad.Sci.USA, 107, 2010
6HHP
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Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 1
分子名称: (1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol, 14-3-3 protein sigma, Estrogen receptor, ...
著者Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
登録日2018-08-28
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
6HON
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Drosophila NOT4 CBM peptide bound to human CAF40
分子名称: CCR4-NOT transcription complex subunit 4, isoform L, CCR4-NOT transcription complex subunit 9, ...
著者Raisch, T, Izaurralde, E, Weichenrieder, O.
登録日2018-09-17
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A conserved CAF40-binding motif in metazoan NOT4 mediates association with the CCR4-NOT complex.
Genes Dev., 33, 2019

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