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3SI2
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BU of 3si2 by Molmil
Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150)
分子名称: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Parthier, C, Carrillo, D, Stubbs, M.T.
登録日2011-06-17
公開日2011-06-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center.
Biochemistry, 50, 2011
4WAM
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BU of 4wam by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A/P48S/A49P
分子名称: PHOSPHATE ION, ZINC ION, beta-carbonic anhydrase
著者Rowlett, R.S, Hoffman, K.M.
登録日2014-08-29
公開日2014-12-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
3SOI
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BU of 3soi by Molmil
Crystallographic structure of Bacillus licheniformis beta-lactamase W210F/W229F/W251F at 1.73 angstrom resolution
分子名称: Beta-lactamase, CITRIC ACID
著者Acierno, J.P, Capaldi, S, Risso, V.A, Monaco, H.L, Ermacora, M.R.
登録日2011-06-30
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis beta-lactamase.
Protein Sci., 21, 2012
4WJX
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BU of 4wjx by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution
分子名称: Chitotriosidase-1, L(+)-TARTARIC ACID
著者Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
登録日2014-10-01
公開日2015-07-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
Acta Crystallogr.,Sect.D, 71, 2015
3JBH
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BU of 3jbh by Molmil
TWO HEAVY MEROMYOSIN INTERACTING-HEADS MOTIFS FLEXIBLE DOCKED INTO TARANTULA THICK FILAMENT 3D-MAP ALLOWS IN DEPTH STUDY OF INTRA- AND INTERMOLECULAR INTERACTIONS
分子名称: MYOSIN 2 ESSENTIAL LIGHT CHAIN STRIATED MUSCLE, MYOSIN 2 HEAVY CHAIN STRIATED MUSCLE, MYOSIN 2 REGULATORY LIGHT CHAIN STRIATED MUSCLE
著者Alamo, L, Qi, D, Wriggers, W, Pinto, A, Zhu, J, Bilbao, A, Gillilan, R.E, Hu, S, Padron, R.
登録日2015-09-01
公開日2016-03-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献Conserved Intramolecular Interactions Maintain Myosin Interacting-Heads Motifs Explaining Tarantula Muscle Super-Relaxed State Structural Basis.
J. Mol. Biol., 428, 2016
5JPN
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BU of 5jpn by Molmil
Structure of human complement C4 rebuilt using iMDFF
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A, ...
著者Croll, T.I, Andersen, G.R.
登録日2016-05-03
公開日2016-08-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
8QHN
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BU of 8qhn by Molmil
Streptococcus pyogenes GapN in complex with NADPH and erythrose-4-phosphate
分子名称: ERYTHOSE-4-PHOSPHATE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Wirsing, R, Schindelin, H.
登録日2023-09-08
公開日2025-06-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Streptococcus pyogenes GapN in complex with NADPH and erythrose-4-phosphate
To Be Published
7RVA
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BU of 7rva by Molmil
Updated Crystal Structure of Replication Initiator Protein REPE54.
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-08-18
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
5JPM
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BU of 5jpm by Molmil
Structure of the complex of human complement C4 with MASP-2 rebuilt using iMDFF
分子名称: Complement C4-A, Mannan-binding lectin serine protease 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Croll, T.I, Andersen, G.R.
登録日2016-05-03
公開日2016-08-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
5JTW
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BU of 5jtw by Molmil
Crystal structure of complement C4b re-refined using iMDFF
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A
著者Croll, T.I, Andersen, G.R.
登録日2016-05-09
公開日2016-08-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
7S86
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BU of 7s86 by Molmil
Crystal structure of hydrophobin SC16, C2221
分子名称: 1,2-ETHANEDIOL, Hydrophobin, SODIUM ION
著者Vergunst, K.L, Langelaan, D.N.
登録日2021-09-17
公開日2021-12-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation
Sci Rep, 12, 2022
6TOW
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BU of 6tow by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylotetraose.
分子名称: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-12-12
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
6TRH
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BU of 6trh by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 3(3)-alpha-L-arabinofuranosyl-xylotetraose.
分子名称: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, alpha-L-arabinofuranose-(1-3)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-12-18
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
3CZA
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BU of 3cza by Molmil
Crystal Structure of E18D DJ-1
分子名称: MALONIC ACID, Protein DJ-1
著者Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hashim, S, Pozharski, E, Wilson, M.A.
登録日2008-04-28
公開日2008-07-01
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
1KTW
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BU of 1ktw by Molmil
IOTA-CARRAGEENASE COMPLEXED TO IOTA-CARRAGEENAN FRAGMENTS
分子名称: 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ...
著者Michel, G, Kahn, R, Dideberg, O.
登録日2002-01-18
公開日2003-06-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structural Bases of the Processive Degradation of iota-Carrageenan, a Main Cell Wall Polysaccharide of Red Algae.
J.Mol.Biol., 334, 2003
3CY6
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BU of 3cy6 by Molmil
Crystal Structure of E18Q DJ-1
分子名称: Protein DJ-1
著者Witt, A.C, Lakshminarasimhan, M, Remington, B.C, Hasim, S, Pozharski, E, Wilson, M.A.
登録日2008-04-25
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
4W55
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BU of 4w55 by Molmil
T4 Lysozyme L99A with n-Propylbenzene Bound
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, propylbenzene
著者Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
登録日2014-08-16
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6401 Å)
主引用文献Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W58
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BU of 4w58 by Molmil
T4 Lysozyme L99A with n-Pentylbenzene Bound
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, pentylbenzene
著者Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
登録日2014-08-16
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W52
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BU of 4w52 by Molmil
T4 Lysozyme L99A with Benzene Bound
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, Endolysin
著者Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
登録日2014-08-16
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5001 Å)
主引用文献Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W54
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BU of 4w54 by Molmil
T4 Lysozyme L99A with Ethylbenzene Bound
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, PHENYLETHANE
著者Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
登録日2014-08-16
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7901 Å)
主引用文献Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
4W57
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BU of 4w57 by Molmil
T4 Lysozyme L99A with n-Butylbenzene Bound
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, N-BUTYLBENZENE
著者Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
登録日2014-08-16
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6801 Å)
主引用文献Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
6T99
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BU of 6t99 by Molmil
Crystal structrue of RSL W31YW76Y lectin mutant in complex with alpha-methylfucoside
分子名称: Fucose-binding lectin protein, SODIUM ION, methyl alpha-L-fucopyranoside
著者Houser, J, Kozmon, S, Wimmerova, M.
登録日2019-10-26
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Chemistry, 26, 2020
6T9B
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BU of 6t9b by Molmil
Crystal structrue of RSL W31A lectin mutant in complex with alpha-methylfucoside
分子名称: Fucose-binding lectin protein, GLYCINE, methyl alpha-L-fucopyranoside
著者Houser, J, Komarek, J, Kozmon, S, Wimmerova, M.
登録日2019-10-26
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Chemistry, 26, 2020
9JS5
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BU of 9js5 by Molmil
Crystal structure of the ASFV-derived histone-like protein pA104R
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Viral histone-like protein
著者Li, Q, Shao, H, Yi, D, Cen, S.
登録日2024-09-30
公開日2025-04-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Thonningianin A disrupts pA104R-DNA binding and inhibits African swine fever virus replication.
Emerg Microbes Infect, 14, 2025
4CRP
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BU of 4crp by Molmil
Solution structure of a TrkAIg2 domain construct for use in drug discovery
分子名称: HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR
著者Shoemark, D.K, Fahey, M, Williams, C, Sessions, R.B, Crump, M.P, Allen-Birt, S.J.
登録日2014-02-28
公開日2015-01-14
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Design and Nuclear Magnetic Resonance (NMR) Structure Determination of the Second Extracellular Immunoglobulin Tyrosine Kinase a (Trkaig2) Domain Construct for Binding Site Elucidation in Drug Discovery
J.Med.Chem., 58, 2015

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件を2025-07-09に公開中

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