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2NYJ
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Crystal structure of the ankyrin repeat domain of TRPV1
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Transient receptor potential cation channel subfamily V member 1
著者Jin, X, Gaudet, R.
登録日2006-11-20
公開日2007-07-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Ankyrin Repeats of TRPV1 Bind Multiple Ligands and Modulate Channel Sensitivity.
Neuron, 54, 2007
2O8D
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BU of 2o8d by Molmil
human MutSalpha (MSH2/MSH6) bound to ADP and a G dU mispair
分子名称: 5'-D(*CP*CP*TP*AP*GP*CP*GP*(DU)P*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*GP*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ...
著者Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S.
登録日2006-12-12
公開日2007-06-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Human MutSalpha DNA Lesion Recognition Complex.
Mol.Cell, 26, 2007
2OAE
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Crystal structure of rat dipeptidyl peptidase (DPPIV) with thiazole-based peptide mimetic #31
分子名称: Dipeptidyl peptidase 4, N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE, SULFATE ION
著者Longenecker, K.L, Shuai, Q, Patel, J, Wiedeman, P.
登録日2006-12-15
公開日2007-02-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
2OJI
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Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
分子名称: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
著者Xie, X, Jacobs, M.D.
登録日2007-01-12
公開日2007-02-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OMV
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Crystal structure of InlA S192N Y369S/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OMY
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BU of 2omy by Molmil
Crystal structure of InlA S192N/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OPH
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Human dipeptidyl peptidase IV in complex with an alpha amino acid inhibitor
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Weber, A.E, Duffy, J.L.
登録日2007-01-29
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献4-Aminophenylalanine and 4-aminocyclohexylalanine derivatives as potent, selective, and orally bioavailable inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 17, 2007
2ONC
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BU of 2onc by Molmil
Crystal structure of human DPP-4
分子名称: 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feng, J, Zhang, Z, Wallace, M.B, Stafford, J.A, Kaldor, S.W, Kassel, D.B, Navre, M, Shi, L, Skene, R.J, Asakawa, T, Takeuchi, K, Xu, R, Webb, D.R, Gwaltney, S.L.
登録日2007-01-23
公開日2008-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV.
J.Med.Chem., 50, 2007
2OMU
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BU of 2omu by Molmil
Crystal structure of InlA G194S+S Y369S/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OR3
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BU of 2or3 by Molmil
Pre-oxidation Complex of Human DJ-1
分子名称: Protein DJ-1, SULFATE ION
著者Witt, A.C, Lakshminarasimhan, M, Wilson, M.A.
登録日2007-02-01
公開日2007-02-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
2OMW
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BU of 2omw by Molmil
Crystal structure of InlA S192N Y369S/mEC1 complex
分子名称: CHLORIDE ION, Epithelial-cadherin, Internalin-A
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OQI
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Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine
分子名称: (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP)
著者Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D, Backes, B.J, Lai, C, Lubben, T.H, Ballaron, S.J, Beno, D.W, Kempf-Grote, A.J, Sham, H.L, Trevillyan, J.M.
登録日2007-01-31
公開日2007-04-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
2MPV
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BU of 2mpv by Molmil
Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli
分子名称: Major fimbrial subunit of aggregative adherence fimbria II AafA
著者Matthews, S.J, Yang, Y, Berry, A.A, Pakharukova, N, Garnett, J.A, Lee, W, Cota, E, Liu, B, Roy, S, Tuittila, M, Marchant, J, Inman, K.G, Ruiz-Perez, F, Mandomando, I, Nataro, J.P, Zavialov, A.V.
登録日2014-06-04
公開日2014-10-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
2MQS
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BU of 2mqs by Molmil
Transient Collagen Triple Helix Binding to a Key Metalloproteinase in Invasion and Development: Spin Labels to Structure
分子名称: Matrix metalloproteinase-14, THP_L_and_M_chain, THP_T_chain
著者Zhao, Y, Marcink, T, Van Doren, S.R.
登録日2014-06-26
公開日2015-02-11
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Transient collagen triple helix binding to a key metalloproteinase in invasion and development.
Structure, 23, 2015
2NCS
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BU of 2ncs by Molmil
NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of dodecylphosphocholine micelles
分子名称: Envelope glycoprotein gp41
著者Jimenez, M, Nieva, J.L, Rujas, E, Partida-Hanon, A, Bruix, M.
登録日2016-04-14
公開日2017-02-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for broad neutralization of HIV-1 through the molecular recognition of 10E8 helical epitope at the membrane interface.
Sci Rep, 6, 2016
2OMX
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BU of 2omx by Molmil
Crystal structure of InlA S192N G194S+S/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OMZ
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Crystal structure of InlA Y369A/hEC1 complex
分子名称: Epithelial-cadherin, Internalin-A
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2P8S
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BU of 2p8s by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor
分子名称: (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Biftu, T.
登録日2007-03-23
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin
Bioorg.Med.Chem.Lett., 17, 2007
2OMT
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Crystal structure of InlA G194S+S/hEC1 complex
分子名称: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin; E-Cad/CTF1, ...
著者Wollert, T, Heinz, D.W, Schubert, W.D.
登録日2007-01-23
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OQV
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BU of 2oqv by Molmil
Human Dipeptidyl Peptidase IV (DPP4) with piperidine-constrained phenethylamine
分子名称: (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV)
著者Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D.
登録日2007-02-01
公開日2007-04-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
2KFZ
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BU of 2kfz by Molmil
KLENOW FRAGMENT WITH BRIDGING-SULFUR SUBSTRATE AND ZINC ONLY
分子名称: 5'-D(*GP*CP*TP*TP*AP*(US1)P*G)-3', KLENOW FRAGMENT OF DNA POLYMERASE I, MAGNESIUM ION, ...
著者Brautigam, C.A, Sun, S, Piccirilli, J.A, Steitz, T.A.
登録日1998-07-02
公開日1998-11-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structures of normal single-stranded DNA and deoxyribo-3'-S-phosphorothiolates bound to the 3'-5' exonucleolytic active site of DNA polymerase I from Escherichia coli.
Biochemistry, 38, 1999
2K7Y
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Solution fold of HIV-1 Virus protein U cytoplasmic domain in the presence of DPC micelles
分子名称: Protein Vpu
著者Wittlich, M, Koenig, B.W, Willbold, D.
登録日2008-08-28
公開日2009-11-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structural characterization of HIV-1 virus protein U cytoplasmic domain in the presence of dodecylphosphatidylcholine micelles
Febs J., 276, 2009
2KFN
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BU of 2kfn by Molmil
KLENOW FRAGMENT WITH BRIDGING-SULFUR SUBSTRATE AND MANGANESE
分子名称: 5'-D(*GP*CP*TP*TP*AP*(US1)P*G)-3', KLENOW FRAGMENT OF DNA POLYMERASE I, MAGNESIUM ION, ...
著者Brautigam, C.A, Sun, S, Piccirilli, J.A, Steitz, T.A.
登録日1998-07-01
公開日1998-11-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structures of normal single-stranded DNA and deoxyribo-3'-S-phosphorothiolates bound to the 3'-5' exonucleolytic active site of DNA polymerase I from Escherichia coli.
Biochemistry, 38, 1999
8HUH
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BU of 8huh by Molmil
Crystal structure of T2R-TTL-3a complex
分子名称: 2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y.X, Chen, J.J.
登録日2022-12-23
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of T2R-TTL-3a complex
To Be Published
8I22
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Acyl-ACP synthetase structure bound to pimelic acid monoethyl ester
分子名称: 7-ethoxy-7-oxidanylidene-heptanoic acid, Acyl-acyl carrier protein synthetase
著者Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y.
登録日2023-01-13
公開日2024-01-17
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.15 Å)
主引用文献Acyl-ACP synthetase structure bound to pimelic acid monoethyl ester
To Be Published

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件を2024-08-28に公開中

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