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5Z9G
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BU of 5z9g by Molmil
Crystal structure of KAI2
分子名称: Probable esterase KAI2
著者Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S.
登録日2018-02-03
公開日2018-08-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana.
J. Exp. Bot., 69, 2018
2QCC
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BU of 2qcc by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase, apo form
分子名称: GLYCEROL, Orotidine 5'- phosphate decarboxylase (OMPdecase), SULFATE ION
著者Wittmann, J, Rudolph, M.
登録日2007-06-19
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCL
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BU of 2qcl by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to OMP
分子名称: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, Uridine 5'-monophosphate synthase (UMP synthase)
著者Wittmann, J, Rudolph, M.
登録日2007-06-19
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCM
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BU of 2qcm by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to 6-hydroxymethyl-UMP
分子名称: 6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE), Uridine 5'-monophosphate synthase (UMP synthase)
著者Wittmann, J, Rudolph, M.
登録日2007-06-19
公開日2007-11-06
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCH
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BU of 2qch by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase bound to 5-iodo-UMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, IODIDE ION, ...
著者Wittmann, J, Rudolph, M.
登録日2007-06-19
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCN
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BU of 2qcn by Molmil
Covalent complex of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase with 6-iodo-UMP
分子名称: GLYCEROL, SULFATE ION, URIDINE-5'-MONOPHOSPHATE, ...
著者Wittmann, J, Rudolph, M.
登録日2007-06-19
公開日2007-11-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
7Z4S
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BU of 7z4s by Molmil
Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids.
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
著者Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A.
登録日2022-03-04
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease.
Nat.Chem., 15, 2023
7N4W
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BU of 7n4w by Molmil
Complex structure of ROTU4 with rotundine
分子名称: GLYCEROL, ROTU4, SULFATE ION, ...
著者Kim, W, Zhang, Y.
登録日2021-06-04
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
2BY6
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BU of 2by6 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY7
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BU of 2by7 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY9
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BU of 2by9 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BYA
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BU of 2bya by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY5
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BU of 2by5 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BY8
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BU of 2by8 by Molmil
Is radiation damage dependent on the dose-rate used during macromolecular crystallography data collection
分子名称: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
著者Leiros, H.-K.S, Timmins, J, Ravelli, R.B.G, McSweeney, S.M.
登録日2005-07-29
公開日2006-02-06
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Is Radiation Damage Dependent on the Dose-Rate Used During Macromolecular Crystallography Data Collection?
Acta Crystallogr.,Sect.D, 62, 2006
2BLW
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BU of 2blw by Molmil
Trypsin after a high dose X-ray "Burn"
分子名称: BENZAMIDINE, CALCIUM ION, GLYCEROL, ...
著者Nanao, M.H, Ravelli, R.B.
登録日2005-03-08
公開日2005-09-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
8OY0
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BU of 8oy0 by Molmil
ATP phosphoribosyltransferase (HisZG ATPPRT) from Acinetobacter baumanii
分子名称: ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, GLYCEROL, ...
著者Alphey, M.S, Read, B, da Silva, R.G.
登録日2023-05-03
公開日2023-11-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure, Steady-State, and Pre-Steady-State Kinetics of Acinetobacter baumannii ATP Phosphoribosyltransferase.
Biochemistry, 63, 2024
2CMY
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BU of 2cmy by Molmil
Crystal complex between bovine trypsin and Veronica hederifolia trypsin inhibitor
分子名称: CALCIUM ION, CATIONIC TRYPSIN, GLYCEROL, ...
著者Conners, R, Yardley, J.L, Konarev, A, Shewry, P, Brady, R.L.
登録日2006-05-16
公開日2007-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献An Unusual Helix-Turn-Helix Protease Inhibitory Motif in a Novel Trypsin Inhibitor from Seeds of Veronica (Veronica Hederifolia L.).
J.Biol.Chem., 282, 2007
2BLV
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BU of 2blv by Molmil
Trypsin before a high dose x-ray "burn"
分子名称: BENZAMIDINE, CALCIUM ION, GLYCEROL, ...
著者Nanao, M.H, Ravelli, R.B.
登録日2005-03-08
公開日2005-09-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Improving Radiation-Damage Substructures for Rip.
Acta Crystallogr.,Sect.D, 61, 2005
1SKU
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BU of 1sku by Molmil
E. coli Aspartate Transcarbamylase 240's Loop Mutant (K244N)
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, MALONATE ION, ...
著者Alam, N, Stieglitz, K.A, Caban, M.D, Gourinath, S, Tsuruta, H, Kantrowitz, E.R.
登録日2004-03-05
公開日2004-03-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献240s Loop Interactions Stabilize the T State of Escherichia coli Aspartate Transcarbamoylase.
J.Biol.Chem., 279, 2004
4WAJ
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BU of 4waj by Molmil
H. influenzae beta-carbonic anhydase variant P48S/A49P
分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION
著者Rowlett, R.S, Hoffmann, K.M.
登録日2014-08-29
公開日2014-12-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
4FC0
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BU of 4fc0 by Molmil
Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor
分子名称: 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf
著者Yano, J.K, Aertgeerts, K.
登録日2012-05-23
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.
Bioorg.Med.Chem., 20, 2012
6OEZ
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BU of 6oez by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine, ...
著者Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
登録日2019-03-28
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
2YBS
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BU of 2ybs by Molmil
JMJD2A COMPLEXED WITH S-2-HYDROXYGLUTARATE AND HISTONE H3K36me3 PEPTIDE (30-41)
分子名称: (2S)-2-HYDROXYPENTANEDIOIC ACID, GLYCEROL, HISTONE H3.1T, ...
著者Chowdhury, R, Schofield, C.J.
登録日2011-03-10
公開日2011-03-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
6PRD
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BU of 6prd by Molmil
S. aureus dihydrofolate reductase co-crystallized with para-methoxyphenyl-dimethyoxydihydropthalazine inhibitor and NADP(H)
分子名称: 3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1H)-yl]propan-1-one, Dihydrofolate reductase, GLYCEROL, ...
著者Bourne, C.R, Thomas, L.M.
登録日2019-07-10
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
3NOM
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BU of 3nom by Molmil
Crystal Structure of Zymomonas mobilis Glutaminyl Cyclase (monoclinic form)
分子名称: CALCIUM ION, GLYCEROL, Glutamine cyclotransferase, ...
著者Parthier, C, Carrillo, D.R, Stubbs, M.T.
登録日2010-06-25
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Kinetic and structural characterization of bacterial glutaminyl cyclases from Zymomonas mobilis and Myxococcus xanthus
Biol.Chem., 391, 2010

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