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3O8I
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BU of 3o8i by Molmil
Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment
分子名称: 14-3-3 binding site peptide of RAF proto-oncogene serine/threonine-protein kinase, 14-3-3 protein sigma, 6,6-dihydroxy-1-methoxyhexan-2-one
著者Ottmann, C, Rose, R, Kaiser, M, Kuhenne, P.
登録日2010-08-03
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Impaired Binding of 14-3-3 to C-RAF in Noonan Syndrome Suggests New Approaches in Diseases with Increased Ras Signaling
Mol.Cell.Biol., 30, 2010
4UUQ
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BU of 4uuq by Molmil
Crystal structure of human mono-glyceride lipase in complex with SAR127303
分子名称: 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE
著者Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J.
登録日2014-07-30
公開日2015-01-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents.
Sci.Rep., 5, 2015
7BNR
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BU of 7bnr by Molmil
Crystal structure of a ParB Q52A mutant from Myxococcus xanthus bound to CTPyS
分子名称: Cytosine 5'-[gamma-thio]triphosphate, GLYCEROL, MAGNESIUM ION, ...
著者Altegoer, F, Bange, G.
登録日2021-01-22
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
7BNK
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BU of 7bnk by Molmil
Crystal structure of ParB from Myxococcus xanthus bound to CDP and Monothiophosphate
分子名称: CYTIDINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Altegoer, F, Bange, G.
登録日2021-01-22
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
6YIO
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BU of 6yio by Molmil
CRYSTAL STRUCTURE OF FAB RG6292 IN COMPLEX WITH CD25 ECD
分子名称: FAB FRAGMENT HEAVY CHAIN, FAB FRGAMENT LIGHT CHAIN, Interleukin-2 receptor subunit alpha
著者Benz, J, Koll, H, Leibrock, L.
登録日2020-04-01
公開日2020-11-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献CD25-T reg -depleting antibodies preserving IL-2 signaling on effector T cells enhance effector activation and antitumor immunity.
Nat Cancer, 1, 2020
3FUR
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BU of 3fur by Molmil
Crystal Structure of PPARg in complex with INT131
分子名称: 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide, CHLORIDE ION, Nuclear receptor coactivator 1, ...
著者Wang, Z, Liu, J, Walker, N.
登録日2009-01-14
公開日2009-06-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献INT131: a selective modulator of PPAR gamma.
J.Mol.Biol., 386, 2009
3NKX
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BU of 3nkx by Molmil
Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome
分子名称: 14-3-3 protein zeta/delta, PROPANOIC ACID, Peptide of RAF proto-oncogene serine/threonine-protein kinase
著者Schumacher, B, Weyand, M, Ottmann, C.
登録日2010-06-21
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling
Mol.Cell.Biol., 30, 2010
2YA1
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BU of 2ya1 by Molmil
Product complex of a multi-modular glycogen-degrading pneumococcal virulence factor SpuA
分子名称: PUTATIVE ALKALINE AMYLOPULLULANASE, SODIUM ION, SULFATE ION, ...
著者Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
登録日2011-02-17
公開日2011-04-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
分子名称: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
著者Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
登録日2020-04-11
公開日2021-02-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
2YA2
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BU of 2ya2 by Molmil
Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA in complex with an inhibitor.
分子名称: 1-DEOXYNOJIRIMYCIN, CALCIUM ION, PUTATIVE ALKALINE AMYLOPULLULANASE, ...
著者Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
登録日2011-02-17
公開日2011-04-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
7B04
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BU of 7b04 by Molmil
Structure of Nitrite oxidoreductase (Nxr) from the anammox bacterium Kuenenia stuttgartiensis.
分子名称: CALCIUM ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
著者Moreno-Chicano, T, Dietl, A, Akram, M, Barends, T.R.M.
登録日2020-11-18
公開日2021-07-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Structural and functional characterization of the intracellular filament-forming nitrite oxidoreductase multiprotein complex
Nat Microbiol, 2021
2YA0
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BU of 2ya0 by Molmil
Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA
分子名称: CALCIUM ION, GLYCEROL, PUTATIVE ALKALINE AMYLOPULLULANASE, ...
著者Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
登録日2011-02-17
公開日2011-04-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
5WI9
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BU of 5wi9 by Molmil
Crystal structure of KL with an agonist Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ...
著者Johnstone, S, Min, X, Wang, Z.
登録日2017-07-18
公開日2018-07-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions.
J. Biol. Chem., 293, 2018
1XUD
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BU of 1xud by Molmil
Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor
分子名称: CALCIUM ION, Collagenase 3, N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE, ...
著者Engel, C.K, Wendt, K.U.
登録日2004-10-26
公開日2005-10-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the highly selective inhibition of MMP-13.
Chem.Biol., 12, 2005
1XUR
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BU of 1xur by Molmil
Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor
分子名称: CALCIUM ION, Collagenase 3, N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE, ...
著者Engel, C.K, Wendt, K.U.
登録日2004-10-26
公開日2005-10-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for the highly selective inhibition of MMP-13.
Chem.Biol., 12, 2005
1XUC
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BU of 1xuc by Molmil
Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor
分子名称: CALCIUM ION, Collagenase 3, N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE, ...
著者Engel, C.K, Wendt, K.U.
登録日2004-10-26
公開日2005-10-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for the highly selective inhibition of MMP-13
Chem.Biol., 12, 2005
3AIG
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BU of 3aig by Molmil
ADAMALYSIN II WITH PEPTIDOMIMETIC INHIBITOR POL656
分子名称: (3R)-2-[N-(furan-2-ylcarbonyl)-L-leucyl]-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, ADAMALYSIN II, CALCIUM ION, ...
著者Gomis-Rueth, F.X, Meyer, E.F, Kress, L.F, Politi, V.
登録日1997-10-12
公開日1998-04-15
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of adamalysin II with peptidic inhibitors. Implications for the design of tumor necrosis factor alpha convertase inhibitors.
Protein Sci., 7, 1998
3OCX
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BU of 3ocx by Molmil
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 2'-AMP
分子名称: ADENOSINE-2'-MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
著者Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
登録日2010-08-10
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
3OCW
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BU of 3ocw by Molmil
Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 3'-AMP
分子名称: Lipoprotein E, MAGNESIUM ION, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
著者Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
登録日2010-08-10
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
3OCV
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BU of 3ocv by Molmil
Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D66N complexed with 5'-AMP
分子名称: ADENOSINE MONOPHOSPHATE, Lipoprotein E, MAGNESIUM ION
著者Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
登録日2010-08-10
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
3OCY
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BU of 3ocy by Molmil
Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase Complexed with inorganic phosphate
分子名称: Lipoprotein E, MAGNESIUM ION, PHOSPHATE ION
著者Singh, H, Schuermann, J, Reilly, T, Calcutt, M, Tanner, J.
登録日2010-08-10
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Recognition of nucleoside monophosphate substrates by Haemophilus influenzae class C acid phosphatase.
J.Mol.Biol., 404, 2010
5AH2
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BU of 5ah2 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.129 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
6HKQ
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BU of 6hkq by Molmil
Human GPX4 in complex with covalent Inhibitor ML162 (S enantiomer)
分子名称: (2~{S})-2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-~{N}-(2-phenylethyl)-2-thiophen-2-yl-ethanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Hillig, R.C, Moosmayer, D, Hilpmann, A, Hoffmann, L, Schnirch, L, Eaton, J.K, Badock, V, Gradl, S.
登録日2018-09-07
公開日2020-04-01
最終更新日2022-12-07
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162.
Acta Crystallogr D Struct Biol, 77, 2021
5D7D
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BU of 5d7d by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-13
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5D7R
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BU of 5d7r by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-14
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6, 2015

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