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4KUN
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BU of 4kun by Molmil
Crystal structure of Legionella pneumophila Lpp1115 / KaiB
分子名称: Hypothetical protein Lpp1115
著者Petit, P, Stogios, P.J, Stein, A, Wawrzak, Z, Skarina, T, Daniels, C, Di Leo, R, Buchrieser, C, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-05-22
公開日2013-06-05
最終更新日2014-10-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Legionella pneumophila kai operon is implicated in stress response and confers fitness in competitive environments.
Environ Microbiol, 16, 2014
3BIG
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BU of 3big by Molmil
Crystal structure of the fructose-1,6-bisphosphatase GlpX from E.coli in complex with inorganic phosphate
分子名称: Fructose-1,6-bisphosphatase class II glpX, PHOSPHATE ION, UNKNOWN ATOM OR ION
著者Lunin, V.V, Skarina, T, Brown, G, Yakunin, A.F, Edwards, A.M, Savchenko, A.
登録日2007-11-30
公開日2008-12-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Biochemical Characterization of the Type II Fructose-1,6-bisphosphatase GlpX from Escherichia coli.
J.Biol.Chem., 284, 2009
6Y91
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BU of 6y91 by Molmil
Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH
分子名称: Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M.
登録日2020-03-06
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
6YBH
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BU of 6ybh by Molmil
Deoxyribonucleoside Kinase
分子名称: Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ...
著者Allouche-Arnon, H, Bar-Shir, A, Dym, O.
登録日2020-03-17
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression.
Nat.Biotechnol., 40, 2022
4L0J
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BU of 4l0j by Molmil
Structure of a translocation signal domain mediating conjugative transfer by type IV secretion systems
分子名称: DNA helicase I, MAGNESIUM ION, SULFATE ION
著者Redzej, A, Ilangovan, A, Lang, S, Gruber, C.J, Topf, M, Zangger, K, Zechner, E.L, Waksman, G.
登録日2013-05-31
公開日2013-06-19
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a translocation signal domain mediating conjugative transfer by type IV secretion systems.
Mol.Microbiol., 89, 2013
6YM5
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BU of 6ym5 by Molmil
Crystal structure of BAY-091 with PIP4K2A
分子名称: (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
著者Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
登録日2020-04-07
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
4L9F
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BU of 4l9f by Molmil
Structure of a SeMet derivative of PpsR Q-PAS1 from Rb. sphaeroides
分子名称: Transcriptional regulator, PpsR
著者Heintz, U, Meinhart, A, Schlichting, I, Winkler, A.
登録日2013-06-18
公開日2014-02-12
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Multi-PAS domain-mediated protein oligomerization of PpsR from Rhodobacter sphaeroides.
Acta Crystallogr.,Sect.D, 70, 2014
2VID
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BU of 2vid by Molmil
Serine protease SplB from Staphylococcus aureus at 1.8A resolution
分子名称: SERINE PROTEASE SPLB
著者Dubin, G, Stec-Niemczyk, J, Kisielewska, M, Pustelny, K, Popowicz, G.M, Bista, M, Kantyka, T, Boulware, K.T, Stennicke, H.R, Czarna, A, Phopaisarn, M, Daugherty, P.S, Thogersen, I.B, Enghild, J.J, Thornberry, N, Dubin, A, Potempa, J.
登録日2007-11-30
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enzymatic Activity of the Staphylococcus Aureus Splb Serine Protease is Induced by Substrates Containing the Sequence Trp-Glu-Leu-Gln.
J.Mol.Biol., 379, 2008
6YKG
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BU of 6ykg by Molmil
Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease
分子名称: 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Van de Poel, A, Leonard, P.M, Lamers, M.B.A.C.
登録日2020-04-06
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.
J.Med.Chem., 64, 2021
4KY1
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BU of 4ky1 by Molmil
humanized HP1/2 Fab
分子名称: IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, LIGHT CHAIN
著者Arndt, J.W, Hanf, K.J.M, Lugovskoy, A, Chen, L.L, Jarpe, M, Boriack-Sjodin, A, Li, Y, van Vlijmen, H, Pepinsky, B, Taylor, F, Silvian, L, Taveras, A.
登録日2013-05-28
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework.
METHODS (SAN DIEGO), 65, 2014
6YM3
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BU of 6ym3 by Molmil
Crystal structure of Compound 1 with PIP4K2A
分子名称: (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
著者Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
登録日2020-04-07
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
6YM4
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BU of 6ym4 by Molmil
Crystal structure of BAY-297 with PIP4K2A
分子名称: (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
著者Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
登録日2020-04-07
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
7QEJ
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BU of 7qej by Molmil
Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-acetic acid (IAA).
分子名称: 1H-INDOL-3-YLACETIC ACID, MAGNESIUM ION, TRANSCRIPTIONAL REGULATOR AdmX
著者Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A.
登録日2021-12-03
公開日2022-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria.
Mbio, 14, 2023
7QEK
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BU of 7qek by Molmil
Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-piruvic acid (IPA).
分子名称: 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, MAGNESIUM ION, regulator AdmX
著者Gavira, J.A, Rico-Jimenez, M, Castellvi, A, Krell, T, Matilla, M.A.
登録日2021-12-03
公開日2022-12-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria.
Mbio, 14, 2023
6YPW
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BU of 6ypw by Molmil
Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide
分子名称: 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2020-04-16
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.
J.Med.Chem., 64, 2021
3ZJV
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BU of 3zjv by Molmil
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation
分子名称: LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR
著者Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
登録日2013-01-18
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
1YSQ
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BU of 1ysq by Molmil
The crystal structure of transcriptional regulator YaiJ
分子名称: HTH-type transcriptional regulator yiaJ, PHOSPHATE ION
著者Bochkarev, A, Lunin, V.V, Ezersky, A, Evdokimova, E, Skarina, T, Xu, X, Borek, D, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-02-08
公開日2005-03-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural study of effector binding specificity in IclR transcriptional regulators
To be Published
4MX2
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BU of 4mx2 by Molmil
Crystal Structure of adenylosuccinate lyase from Leishmania donovani
分子名称: ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, GLYCEROL, ...
著者Wernimont, A.K, Loppnau, P, Dong, A, Krojer, T, Bradley, A, Bushell, S, von Delft, F, Robinson, D, Gilbert, I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Mottaghi, K, Structural Genomics Consortium (SGC)
登録日2013-09-25
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of adenylosuccinate lyase from Leishmania donovani
To be Published
7QDE
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BU of 7qde by Molmil
NMR structure of Npl3 RRM12 bound to the AUCCAGUGGAA RNA
分子名称: Nucleolar protein 3, RNA (5'-R(*AP*UP*CP*CP*AP*GP*UP*GP*GP*AP*A)-3')
著者Allain, F.H.-T, Clery, A, Moursy, A.
登録日2021-11-26
公開日2022-12-21
最終更新日2024-01-10
実験手法SOLUTION NMR
主引用文献RNA recognition by Npl3p reveals U2 snRNA-binding compatible with a chaperone role during splicing.
Nat Commun, 14, 2023
1PBJ
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BU of 1pbj by Molmil
CBS domain protein
分子名称: MAGNESIUM ION, hypothetical protein
著者Cuff, M.E, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2003-05-14
公開日2003-12-16
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of a hypothetical protein from M. thermautotrophicus reveals a novel fold and a pseudo 2-fold axis of symmetry
TO BE PUBLISHED
1PBT
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BU of 1pbt by Molmil
The crystal structure of TM1154, oxidoreductase, sol/devB family from Thermotoga maritima
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-phosphogluconolactonase, ...
著者Kim, Y, Joachimiak, A, Edwards, A, Skarina, T, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2003-05-15
公開日2003-09-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure analysis of TM1154, oxidoreductase from Thermotoga maritima
To be Published
3ZJT
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BU of 3zjt by Molmil
Ternary complex of E.coli leucyl-tRNA synthetase, tRNA(Leu)574 and the benzoxaborole AN3017 in the editing conformation
分子名称: LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR
著者Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
登録日2013-01-18
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
6FKP
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BU of 6fkp by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with H3 10-mer AA mutant peptide
分子名称: ALA-ARG-THR-ALA-ALA-THR-ALA-ARG, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
著者Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
登録日2018-01-24
公開日2018-03-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
3FL1
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BU of 3fl1 by Molmil
X-ray structure of the non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease in complex with 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE
分子名称: 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE, Ribonuclease pancreatic, SULFATE ION, ...
著者Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F.
登録日2008-12-18
公開日2009-03-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants
Biopolymers, 91, 2009
2WIH
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BU of 2wih by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125
分子名称: CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ...
著者Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
登録日2009-05-13
公開日2009-07-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009

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