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4LBV
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Identifying ligand binding hot spots in proteins using brominated fragments
分子名称: AMMONIUM ION, CHLORIDE ION, Elongation factor Tu-A, ...
著者Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P.
登録日2013-06-21
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
4EAN
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BU of 4ean by Molmil
1.75A resolution structure of indole bound beta-glycosidase (W33G) from sulfolobus solfataricus
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-galactosidase, CHLORIDE ION, ...
著者Lovell, S, Battaile, K.P, Deckert, K, Brunner, L.C, Budiardjo, S.J, Karanicolas, J.
登録日2012-03-22
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Designing allosteric control into enzymes by chemical rescue of structure.
J.Am.Chem.Soc., 134, 2012
4L4R
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BU of 4l4r by Molmil
Structural Characterisation of the Apo-form of Human Lactate Dehydrogenase M Isozyme
分子名称: L-lactate dehydrogenase A chain
著者Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
登録日2013-06-09
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
4LCL
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BU of 4lcl by Molmil
Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208)
分子名称: ISOPROPYL ALCOHOL, Transesterase
著者Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y.
登録日2013-06-21
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
4L5T
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BU of 4l5t by Molmil
Crystal structure of the tetrameric p202 HIN2
分子名称: Interferon-activable protein 202
著者Yin, Q, Tian, Y, Wu, H.
登録日2013-06-11
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.405 Å)
主引用文献Molecular Mechanism for p202-Mediated Specific Inhibition of AIM2 Inflammasome Activation.
Cell Rep, 4, 2013
4KV3
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BU of 4kv3 by Molmil
Ubiquitin-like domain of the Mycobacterium tuberculosis type VII secretion system protein EccD1 as maltose-binding protein fusion
分子名称: Chimera fusion protein of ESX-1 secretion system protein eccD1 and Maltose-binding periplasmic protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Korotkov, K.V, Evans, T.J.
登録日2013-05-22
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of EccB1 and EccD1 from the core complex of the mycobacterial ESX-1 type VII secretion system.
Bmc Struct.Biol., 16, 2016
4KAH
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BU of 4kah by Molmil
Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 4-bromo-1H-pyrazole
分子名称: 4-bromo-1H-pyrazole, ADENOSINE, BROMIDE ION, ...
著者Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2013-04-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 4-bromo-1H-pyrazole
To be Published
4EGG
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BU of 4egg by Molmil
Computationally Designed Self-assembling tetrahedron protein, T310
分子名称: GLYCEROL, Putative acetyltransferase SACOL2570
著者Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O.
登録日2012-03-30
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
4K9E
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BU of 4k9e by Molmil
Crystal structure of KIT D4D5 fragment in complex with anti-Kit antibodies Fab79D
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Mast/stem cell growth factor receptor Kit, heavy chain, ...
著者Resheynyak, A.V, Boggon, T.J, Lax, I, Schlessinger, J.
登録日2013-04-19
公開日2013-10-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for KIT receptor tyrosine kinase inhibition by antibodies targeting the D4 membrane-proximal region.
Proc.Natl.Acad.Sci.USA, 110, 2013
4EH3
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BU of 4eh3 by Molmil
Human p38 MAP kinase in complex with NP-F2 and RL87
分子名称: Mitogen-activated protein kinase 14, NARINGENIN, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine
著者Over, B, Gruetter, C, Waldmann, H, Rauh, D.
登録日2012-04-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Natural-product-derived fragments for fragment-based ligand discovery.
Nat Chem, 5, 2012
4KA8
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BU of 4ka8 by Molmil
Structure of Organellar OligoPeptidase
分子名称: CHLORIDE ION, GLYCEROL, Oligopeptidase A, ...
著者Berntsson, R.P.-A, Kmiec, B, Teixeira, P.F, Svensson, L.M, Bakali, A, Glaser, E, Stenmark, P.
登録日2013-04-22
公開日2013-09-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
4EHY
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BU of 4ehy by Molmil
Crystal structure of LpxK from Aquifex aeolicus in complex with ADP/Mg2+ at 2.2 angstrom resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Emptage, R.P, Daughtry, K.D, Pemble IV, C.W, Raetz, C.R.H.
登録日2012-04-04
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Crystal structure of LpxK, the 4'-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface.
Proc.Natl.Acad.Sci.USA, 109, 2012
4EY8
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BU of 4ey8 by Molmil
Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, Fasciculin-2, ...
著者Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
登録日2012-05-01
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5958 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4KBR
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BU of 4kbr by Molmil
Crystal structure of mouse Ceramide-1-phosphate transfer protein (apo-form)
分子名称: Glycolipid transfer protein domain-containing protein 1, PHOSPHATE ION
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-23
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.547 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4E4J
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BU of 4e4j by Molmil
Crystal structure of arginine deiminase from Mycoplasma penetrans
分子名称: Arginine deiminase, CHLORIDE ION
著者Benach, J, Gallego, P, Planell, R, Querol, E, Perez Pons, J.A, Reverter, D.
登録日2012-03-13
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Characterization of the Enzymes Composing the Arginine Deiminase Pathway in Mycoplasma penetrans.
Plos One, 7, 2012
4KGN
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BU of 4kgn by Molmil
Crystal structure of a tRNA (cytidine(34)-2'-O)-methyltransferase bound to S-adenosyl homocysteine
分子名称: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (cytidine(34)-2'-O)-methyltransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-04-29
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of a TrmH family tRNA methyltransferase bound to S-adenosyl homocysteine
To be Published
4KNA
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BU of 4kna by Molmil
Crystal structure of an N-succinylglutamate 5-semialdehyde dehydrogenase from Burkholderia thailandensis
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-05-09
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of an N-succinylglutamate 5-semialdehyde dehydrogenase from Burkholderia thailandensis
TO BE PUBLISHED
4KS2
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BU of 4ks2 by Molmil
Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KRL
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BU of 4krl by Molmil
Nanobody/VHH domain 7D12 in complex with domain III of the extracellular region of EGFR, pH 6.0
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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Ferguson, K.M, Schmitz, K.R.
登録日2013-05-16
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.849 Å)
主引用文献Structural Evaluation of EGFR Inhibition Mechanisms for Nanobodies/VHH Domains.
Structure, 21, 2013
4K5C
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BU of 4k5c by Molmil
From DARPins to LoopDARPins: Novel LoopDARPin Design Allows the Selection of Low Picomolar Binders in a Single Round of Ribosome Display
分子名称: Loop Designed Ankyrin Repeat Protein Nran1_G06_C
著者Schilling, J, Schoeppe, J, Plueckthun, A.
登録日2013-04-14
公開日2013-11-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From DARPins to LoopDARPins: novel LoopDARPin design allows the selection of low picomolar binders in a single round of ribosome display
J.Mol.Biol., 426, 2014
4K84
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BU of 4k84 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 16:0 ceramide-1-phosphate (16:0-C1P)
分子名称: (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
著者Simanshu, D.K, Brown, R.E, Patel, D.J.
登録日2013-04-17
公開日2013-07-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4K91
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BU of 4k91 by Molmil
Crystal structure of Penicillin-Binding Protein 5 (PBP5) from Pseudomonas aeruginosa in apo state
分子名称: D-ala-D-ala-carboxypeptidase, SUCCINIC ACID
著者Smith, J, Toth, M, Vakulenko, S, Mobashery, S, Chen, Y.
登録日2013-04-19
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural analysis of the role of Pseudomonas aeruginosa penicillin-binding protein 5 in beta-lactam resistance.
Antimicrob.Agents Chemother., 57, 2013
4KE5
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BU of 4ke5 by Molmil
HCV NS5B GT1B N316Y with GSK5852
分子名称: HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-25
公開日2013-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KGO
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BU of 4kgo by Molmil
Crystal Structure of double Leucine to Methionine mutant human splunc1 lacking the secretion signal sequence
分子名称: BPI fold-containing family A member 1
著者Betts, L, Walton, W.G.
登録日2013-04-29
公開日2013-09-25
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3.194 Å)
主引用文献Molecular basis for pH-dependent mucosal dehydration in cystic fibrosis airways.
Proc.Natl.Acad.Sci.USA, 110, 2013
4N45
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Crystal structure of reduced form of thiolase from Clostridium acetobutylicum
分子名称: Acetyl-CoA acetyltransferase
著者Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J.
登録日2013-10-08
公開日2014-10-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insight into redox-switch regulatory mechanism of thiolase from the n-butanol synthesizing bacterium, Clostridium acetobutylicum
to be published

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