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2LVL
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BU of 2lvl by Molmil
NMR Structure the lantibiotic immunity protein SpaI
分子名称: SpaI
著者Christ, N, Bochmann, S, Gottstein, D, Duchardt-Ferner, E, Hellmich, U.A, Duesterhus, S, Koetter, P, Guentert, P, Entian, K, Woehnert, J.
登録日2012-07-06
公開日2012-08-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The First Structure of a Lantibiotic Immunity Protein, SpaI from Bacillus subtilis, Reveals a Novel Fold.
J.Biol.Chem., 287, 2012
3FGP
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BU of 3fgp by Molmil
2.05 a Crystal Structure of CysM from Mycobacterium Tuberculosis - Open and Closed Conformations
分子名称: Cysteine synthase B
著者Agren, D, Schnell, R, Schneider, G.
登録日2008-12-08
公開日2008-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The C-terminal of CysM from Mycobacterium tuberculosis protects the aminoacrylate intermediate and is involved in sulfur donor selectivity
Febs Lett., 583, 2009
7ZY3
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BU of 7zy3 by Molmil
Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation
分子名称: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
著者Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F.
登録日2022-05-23
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023
8A4V
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BU of 8a4v by Molmil
Crystal structure of human cathepsin L with covalently bound E-64
分子名称: Cathepsin L, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-06-13
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
3WDD
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BU of 3wdd by Molmil
Mutant N-terminal domain of Mycobacterium tuberculosis ClpC1, F2Y, bound to Cyclomarin A
分子名称: ACETATE ION, Cyclomarin A, Probable ATP-dependent Clp protease ATP-binding subunit
著者Vasudevan, D, Noble, C.G.
登録日2013-06-14
公開日2013-09-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural basis of mycobacterial inhibition by cyclomarin A
J.Biol.Chem., 288, 2013
6SK7
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BU of 6sk7 by Molmil
Cryo-EM structure of rhinovirus-A89
分子名称: VP1 capsid protein, VP2 capsid protein, VP3 capsid protein, ...
著者Wald, J, Goessweiner-Mohr, N, Blaas, D, Pasin, M.
登録日2019-08-14
公開日2019-09-04
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
2MJ5
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BU of 2mj5 by Molmil
Structure of the UBA Domain of Human NBR1 in Complex with Ubiquitin
分子名称: Next to BRCA1 gene 1 protein, Polyubiquitin-C
著者Walinda, E, Morimoto, D, Sugase, K, Komatsu, M, Tochio, H, Shirakawa, M.
登録日2013-12-25
公開日2014-04-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the ubiquitin-associated (UBA) domain of human autophagy receptor NBR1 and its interaction with ubiquitin and polyubiquitin.
J.Biol.Chem., 289, 2014
6SL0
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BU of 6sl0 by Molmil
Complete CtTel1 dimer with C2 symmetry
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1
著者Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P.
登録日2019-08-16
公開日2019-10-30
最終更新日2020-01-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020
3FI3
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BU of 3fi3 by Molmil
Crystal structure of JNK3 with indazole inhibitor, SR-3737
分子名称: 1,2-ETHANEDIOL, 3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide, Mitogen-activated protein kinase 10
著者Habel, J.E, Duckett, D, LoGrasso, P.
登録日2008-12-10
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-activity relationships and X-ray structures describing the selectivity of aminopyrazole inhibitors for c-Jun N-terminal kinase 3 (JNK3) over p38.
J.Biol.Chem., 284, 2009
3WFS
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BU of 3wfs by Molmil
tRNA processing enzyme complex 3
分子名称: Poly A polymerase, RNA (74-MER), SULFATE ION
著者Yamashita, S, Takeshita, D, Tomita, K.
登録日2013-07-23
公開日2014-01-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.311 Å)
主引用文献Translocation and rotation of tRNA during template-independent RNA polymerization by tRNA nucleotidyltransferase
Structure, 22, 2014
3FIU
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BU of 3fiu by Molmil
Structure of NMN synthetase from Francisella tularensis
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, ...
著者Sorci, L, Martynowski, D, Eyobo, Y, Osterman, A.L, Zhang, H.
登録日2008-12-12
公開日2009-03-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Nicotinamide mononucleotide synthetase is the key enzyme for an alternative route of NAD biosynthesis in Francisella tularensis
Proc.Natl.Acad.Sci.USA, 106, 2009
1DRO
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BU of 1dro by Molmil
NMR STRUCTURE OF THE CYTOSKELETON/SIGNAL TRANSDUCTION PROTEIN
分子名称: BETA-SPECTRIN
著者Zhang, P, Talluri, S, Deng, H, Branton, D, Wagner, G.
登録日1995-09-29
公開日1996-04-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the pleckstrin homology domain of Drosophila beta-spectrin.
Structure, 3, 1995
8A4W
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BU of 8a4w by Molmil
Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV
分子名称: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-06-13
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
3EX4
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BU of 3ex4 by Molmil
human orotidyl-5'-monophosphate decarboxylase in complex with BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine-5'-phosphate decarboxylase
著者Heinrich, D, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
1DZ9
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BU of 1dz9 by Molmil
Putative oxo complex of P450cam from Pseudomonas putida
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ...
著者Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G.
登録日2000-02-18
公開日2000-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution
Science, 287, 2000
2M9O
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BU of 2m9o by Molmil
Solution structure of kalata B7
分子名称: Kalata-B7
著者Daly, N, Elliott, A, Craik, D.
登録日2013-06-18
公開日2013-11-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Cyclotides as templates for peptide GPCR ligand design - discovery of the target receptor of the oxytocic plant peptide kalata B7
Proc.Natl.Acad.Sci.USA, 2013
2M3I
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BU of 2m3i by Molmil
Characterization of a Novel Alpha4/6-Conotoxin TxIC from Conus textile that Potently Blocks alpha3beta4 Nicotinic Acetylcholine Receptors
分子名称: Alpha-conotoxin
著者Luo, S, Zhangsun, D, Zhu, X, Wu, Y, Hu, Y, Christensen, S, Akcan, M, Craik, D.J, McIntosh, J.M.
登録日2013-01-20
公開日2013-12-04
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Characterization of a Novel alpha-Conotoxin TxID from Conus textile That Potently Blocks Rat alpha 3 beta 4 Nicotinic Acetylcholine Receptors.
J.Med.Chem., 56, 2013
3EX3
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BU of 3ex3 by Molmil
human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, covalent adduct
分子名称: GLYCEROL, Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
著者Heinrich, D, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
2M4V
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BU of 2m4v by Molmil
Mycobacterium tuberculosis RNA polymerase binding protein A (RbpA) and its interactions with sigma factors
分子名称: Putative uncharacterized protein
著者Bortoluzzi, A, Muskett, F.W, Waters, L.C, Addis, P.W, Rieck, B, Munder, T, Schleier, S, Forti, F, Ghisotti, D, Carr, M.D, O'Hare, H.M.
登録日2013-02-11
公開日2013-04-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mycobacterium tuberculosis RNA polymerase-binding protein A (RbpA) and its interactions with sigma factors.
J.Biol.Chem., 288, 2013
8A4X
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BU of 8a4x by Molmil
Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III
分子名称: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-06-13
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
3IT9
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BU of 3it9 by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in apo state
分子名称: D-alanyl-D-alanine carboxypeptidase dacC, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
登録日2009-08-27
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
6SS2
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BU of 6ss2 by Molmil
Structure of arginase-2 in complex with the inhibitory human antigen-binding fragment Fab C0021158
分子名称: Arginase-2, mitochondrial, Fab C0021158 heavy chain (IgG1), ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2019-09-06
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
8A4U
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BU of 8a4u by Molmil
Crystal structure of human cathepsin L with CAA0225
分子名称: (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide, 1,2-ETHANEDIOL, Cathepsin L, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-06-13
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
2M9X
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BU of 2m9x by Molmil
Solution NMR Structure of Microtubule-associated serine/threonine-protein kinase 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9151A
分子名称: Microtubule-associated serine/threonine-protein kinase 1
著者Xu, X, Eletsky, A, Shastry, R, Lee, D, Hamilton, K, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-20
公開日2013-07-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Microtubule-associated serine/threonine-protein kinase 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9151A
To be Published
3IW8
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BU of 3iw8 by Molmil
Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea
分子名称: 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Rauh, D.
登録日2009-09-02
公開日2009-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009

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