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4FEO
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Crystal structure of the AU25A/A46G/C74U mutant xpt-pbuX guanine riboswitch aptamer domain in complex with 2,6-diaminopurine
分子名称: 9H-PURINE-2,6-DIAMINE, COBALT HEXAMMINE(III), U25A/A46G/C74U mutant of the B. subtilis xpt-pbuX guanine riboswitch aptamer domain
著者Stoddard, C.D, Trausch, J.J, Widmann, J, Marcano, J, Knight, R, Batey, R.T.
登録日2012-05-30
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nucleotides Adjacent to the Ligand-Binding Pocket are Linked to Activity Tuning in the Purine Riboswitch.
J.Mol.Biol., 425, 2013
3PQR
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BU of 3pqr by Molmil
Crystal structure of Metarhodopsin II in complex with a C-terminal peptide derived from the Galpha subunit of transducin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-1, ...
著者Choe, H.-W, Kim, Y.J, Park, J.H, Morizumi, T, Pai, E.F, Krauss, N, Hofmann, K.P, Scheerer, P, Ernst, O.P.
登録日2010-11-26
公開日2011-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of metarhodopsin II.
Nature, 471, 2011
3PUX
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BU of 3pux by Molmil
Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-BeF3
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
著者Oldham, M.L, Chen, J.
登録日2010-12-06
公開日2011-08-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Snapshots of the maltose transporter during ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PXI
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BU of 3pxi by Molmil
Structure of MecA108:ClpC
分子名称: Adapter protein mecA 1, Negative regulator of genetic competence ClpC/MecB
著者Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G.
登録日2010-12-09
公開日2011-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (6.926 Å)
主引用文献Structure and mechanism of the hexameric MecA-ClpC molecular machine.
Nature, 471, 2011
4FFO
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BU of 4ffo by Molmil
PylC in complex with phosphorylated D-ornithine
分子名称: (2R)-2,5-diaminopentanoyl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFW
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BU of 4ffw by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ...
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
3PXG
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BU of 3pxg by Molmil
Structure of MecA121 and ClpC1-485 complex
分子名称: Adapter protein mecA 1, Negative regulator of genetic competence ClpC/MecB
著者Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G.
登録日2010-12-09
公開日2011-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.654 Å)
主引用文献Structure and mechanism of the hexameric MecA-ClpC molecular machine.
Nature, 471, 2011
3PZ7
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BU of 3pz7 by Molmil
Crystal structure of Ccd1-DIX domain
分子名称: 1,2-ETHANEDIOL, Dixin
著者Liu, Y.T, Wang, J.W, Chen, L, Wu, J.W.
登録日2010-12-14
公開日2010-12-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.441 Å)
主引用文献Molecular basis of WNT Activation via the DIX-domain protein CCD1
To be Published
4EX8
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BU of 4ex8 by Molmil
Crystal structure of the prealnumycin C-glycosynthase AlnA
分子名称: AlnA, CALCIUM ION, CHLORIDE ION, ...
著者Oja, T, Niiranen, L, Sandalova, T, Klika, K.D, Niemi, J, Mantsala, P, Schneider, G, Metsa-Ketela, M.
登録日2012-04-30
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway.
Proc.Natl.Acad.Sci.USA, 110, 2013
3PS5
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BU of 3ps5 by Molmil
Crystal structure of the full-length Human Protein Tyrosine Phosphatase SHP-1
分子名称: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 6
著者Wang, W, Liu, L, Song, X, Mo, Y, Komma, C, Bellamy, H.D, Zhao, Z.J, Zhou, G.W.
登録日2010-11-30
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure of human protein tyrosine phosphatase SHP-1 in the open conformation.
J.Cell.Biochem., 112, 2011
3PUV
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BU of 3puv by Molmil
Crystal Structure of an outward-facing MBP-Maltose transporter complex bound to ADP-VO4
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Oldham, M.L, Chen, J.
登録日2010-12-06
公開日2011-08-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Snapshots of the maltose transporter during ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
4FFL
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BU of 4ffl by Molmil
PylC in complex with L-lysine
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FMK
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BU of 4fmk by Molmil
Crystal structure of mouse nectin-2 extracellular fragment D1-D2
分子名称: CADMIUM ION, Poliovirus receptor-related protein 2, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Harrison, O.J, Brasch, J, Shapiro, L.
登録日2012-06-17
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
4FN0
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BU of 4fn0 by Molmil
Crystal structure of mouse nectin-2 extracellular fragment D1-D2, 2nd crystal form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Poliovirus receptor-related protein 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Harrison, O.J, Brasch, J, Shapiro, L.
登録日2012-06-18
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Nectin ectodomain structures reveal a canonical adhesive interface.
Nat.Struct.Mol.Biol., 19, 2012
4FFN
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BU of 4ffn by Molmil
PylC in complex with D-ornithine and AMPPNP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-ORNITHINE, MAGNESIUM ION, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFV
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BU of 4ffv by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab
分子名称: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
4FMM
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BU of 4fmm by Molmil
Dimeric Sec14 family homolog 3 from Saccharomyces cerevisiae presents some novel features of structure that lead to a surprising "dimer-monomer" state change induced by substrate binding
分子名称: GLYCEROL, MAGNESIUM ION, Phosphatidylinositol transfer protein PDR16
著者Yuan, Y, Zhao, W, Wang, X, Gao, Y, Niu, L, Teng, M.
登録日2012-06-18
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Dimeric Sfh3 has structural changes in its binding pocket that are associated with a dimer-monomer state transformation induced by substrate binding.
Acta Crystallogr.,Sect.D, 69, 2013
3QRB
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BU of 3qrb by Molmil
crystal structure of E-cadherin EC1-2 P5A P6A
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cadherin-1, ...
著者Jin, X, Shapiro, L.
登録日2011-02-17
公開日2011-05-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular design principles underlying beta-strand swapping in the adhesive dimerization of cadherins.
Nat.Struct.Mol.Biol., 18, 2011
4FFM
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PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine-Ne-D-ornithine)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FFR
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BU of 4ffr by Molmil
SeMet-labeled PylC (remote)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PylC
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
4FEN
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BU of 4fen by Molmil
Crystal structure of the A24U/U25A/A46G mutant xpt-pbuX guanine riboswitch aptamer domain in complex with hypoxanthine
分子名称: A24U/U25A/A46G mutant of the B. subtilis xpt-pbuX guanine riboswitch aptamer domain, ACETATE ION, COBALT HEXAMMINE(III), ...
著者Stoddard, C.D, Trausch, J.J, Widmann, J, Marcano, J, Knight, R, Batey, R.T.
登録日2012-05-30
公開日2013-02-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Nucleotides Adjacent to the Ligand-Binding Pocket are Linked to Activity Tuning in the Purine Riboswitch.
J.Mol.Biol., 425, 2013
4GE9
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BU of 4ge9 by Molmil
Kynurenine Aminotransferase II Inhibitors
分子名称: (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
著者Pandit, J.
登録日2012-08-01
公開日2012-11-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
4GLM
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BU of 4glm by Molmil
Crystal structure of the SH3 Domain of DNMBP protein [Homo sapiens]
分子名称: Dynamin-binding protein, UNKNOWN ATOM OR ION
著者Dong, A, Guan, X, Huang, H, Tempel, W, Gu, J, Sidhu, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2012-08-14
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the SH3 Domain of DNMBP protein [Homo sapiens]
to be published
3QYZ
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BU of 3qyz by Molmil
Crystal structure of ERK2 in complex with an inhibitor
分子名称: 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G.
登録日2011-03-04
公開日2011-08-24
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献In-plate protein crystallization, in situ ligand soaking and X-ray diffraction.
Acta Crystallogr.,Sect.D, 67, 2011
4H3F
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BU of 4h3f by Molmil
Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-3-yl)benzonitrile
分子名称: 3-{5-[(2E,4aR,7aR)-2-imino-6-(6-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Mandal, M.
登録日2012-09-13
公開日2012-11-07
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012

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