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4PRR
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BU of 4prr by Molmil
Human Aldose Reductase complexed with Schl7815 ((3-[3-(5-NITROFURAN-2-YL)PHENYL]PROPANOIC ACID)at 1.01 A
Descriptor: 3-[3-(5-nitrofuran-2-yl)phenyl]propanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-03-06
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Keys to open the specificity pocket: Biphenylic Inhibitors of the human aldose reductase
To be Published
4QIU
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BU of 4qiu by Molmil
Crystal structure of Nitroalkane Oxidase from Pseudomonas aeruginosa in Mutant complex form
Descriptor: 1-nitropropane, FLAVIN MONONUCLEOTIDE, Nitronate monooxygenase family protein
Authors:Chi, Y.M, Lee, J.H.
Deposit date:2014-06-02
Release date:2015-07-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Crystal structures and reaction mechanisms of nitroalkane oxidase (NAO) from Pseudomonas aeruginosa
To be Published
4Y6A
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BU of 4y6a by Molmil
Yeast 20S proteasome beta2-H114D mutant in complex with Ac-PAD-ep
Descriptor: Ac-PAD-ep, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-12
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
4Y80
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BU of 4y80 by Molmil
Yeast 20S proteasome in complex with Ac-LAI-ep
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAI-ep, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-16
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
4YA7
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BU of 4ya7 by Molmil
Yeast 20S proteasome beta2-H114D mutant in complex with Ac-LAE-ep
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAE-ep, CHLORIDE ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-17
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
4E7L
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BU of 4e7l by Molmil
PFV integrase Strand Transfer Complex (STC-Mn*) following reaction in crystallo, at 3.0 A resolution.
Descriptor: DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
Authors:Maertens, G.N, Cherepanov, P.
Deposit date:2012-03-17
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.0001 Å)
Cite:3'-Processing and strand transfer catalysed by retroviral integrase in crystallo.
Embo J., 31, 2012
4NJR
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BU of 4njr by Molmil
Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Descriptor: CARBONATE ION, Probable M18 family aminopeptidase 2, ZINC ION
Authors:Nguyen, D.D, Pandian, R, Kim, D.Y, Ha, S.C, Yun, K.H, Kim, K.S, Kim, J.H, Kim, K.K.
Deposit date:2013-11-11
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Biochem.Biophys.Res.Commun., 447, 2014
4EB3
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BU of 4eb3 by Molmil
Crystal structure of IspH in complex with iso-HMBPP
Descriptor: 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
Authors:Wang, W, Wang, K, Span, I, Bacher, A, Groll, M, Oldfield, E.
Deposit date:2012-03-23
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation.
J.Am.Chem.Soc., 134, 2012
4NX2
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BU of 4nx2 by Molmil
Crystal structure of DCYRS complexed with DCY
Descriptor: 3,5-dichloro-L-tyrosine, Tyrosine--tRNA ligase
Authors:Wang, J, Gong, W, Li, J, Gao, F, Li, H.
Deposit date:2013-12-08
Release date:2014-09-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
4Z1T
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BU of 4z1t by Molmil
MIF in complex with 4-[(4-oxo-2-thioxo-1,3-thiazolan-3-yl)methyl]benzonitrile
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Cho, T.Y.
Deposit date:2015-03-27
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for decreased induction of class IB PI3-kinases expression by MIF inhibitors.
J. Cell. Mol. Med., 21, 2017
4Z15
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BU of 4z15 by Molmil
MIF in complex with 3-(2-furylmethyl)-2-thioxo-1,3-thiazolan-4-one
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Cho, T.Y.
Deposit date:2015-03-26
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for decreased induction of class IB PI3-kinases expression by MIF inhibitors.
J. Cell. Mol. Med., 21, 2017
4NXE
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BU of 4nxe by Molmil
Crystal structure of iLOV-I486(2LT) at pH 6.5
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Wang, J, Liu, X, Li, J.
Deposit date:2013-12-09
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
J.Am.Chem.Soc., 136, 2014
4NJQ
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BU of 4njq by Molmil
Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CARBONATE ION, COBALT (II) ION, ...
Authors:Nguyen, D.D, Pandian, R, Kim, D.Y, Ha, S.C, Yun, K.H, Kim, K.S, Kim, J.H, Kim, K.K.
Deposit date:2013-11-11
Release date:2014-04-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Biochem.Biophys.Res.Commun., 447, 2014
4NFG
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BU of 4nfg by Molmil
K13R mutant of horse cytochrome c and yeast cytochrome c peroxidase complex
Descriptor: Cytochrome c, Cytochrome c peroxidase, mitochondrial, ...
Authors:Meulenbroek, E.M, Bashir, Q, Ubbink, M, Pannu, N.S.
Deposit date:2013-10-31
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Engineering specificity in a dynamic protein complex with a single conserved mutation.
Febs J., 281, 2014
5NP8
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BU of 5np8 by Molmil
PGK1 in complex with CRT0063465 (3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid)
Descriptor: 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid, ...
Authors:Turnbull, A.P, Bilsland, A.E, Liu, Y, Sumpton, D, Stevenson, K, Cairney, C.J, Roffey, J, Jenkinson, D, Keith, W.N.
Deposit date:2017-04-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Novel Pyrazolopyrimidine Ligand of Human PGK1 and Stress Sensor DJ1 Modulates the Shelterin Complex and Telomere Length Regulation.
Neoplasia, 21, 2019
4F15
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BU of 4f15 by Molmil
Molecular basis of infectivity of 2009 pandemic H1N1 influenza A viruses
Descriptor: Fab fragment, heavy chain, light chain, ...
Authors:Kim, K.H, Cho, K.J, Lee, J.H, Park, Y.H, Khan, T.G, Lee, J.Y, Kang, S.H, Alam, I.
Deposit date:2012-05-06
Release date:2013-05-15
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Molecular basis of infectivity of 2009 pandemic H1N1 influenza A viruses
To be Published
4F1P
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BU of 4f1p by Molmil
Crystal Structure of mutant S554D for ArfGAP and ANK repeat domain of ACAP1
Descriptor: Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1, SULFATE ION, ...
Authors:Sun, F, Pang, X, Zhang, K, Ma, J, Zhou, Q.
Deposit date:2012-05-07
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic insights into regulated cargo binding by ACAP1 protein
J.Biol.Chem., 287, 2012
4ZDZ
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BU of 4zdz by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with fluconazole
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
4O6Z
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BU of 4o6z by Molmil
Crystal structure of serine hydroxymethyltransferase with covalently bound PLP Schiff-base from Plasmodium falciparum
Descriptor: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2013-12-24
Release date:2014-06-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:The structure of Plasmodium falciparum serine hydroxymethyltransferase reveals a novel redox switch that regulates its activities.
Acta Crystallogr.,Sect.D, 70, 2014
4OID
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BU of 4oid by Molmil
Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Descriptor: Probable M18 family aminopeptidase 2
Authors:Nguyen, D.D, Pandian, R, Kim, D.D, Ha, S.C, Yoon, H.J, Kim, K.S, Yun, K.H, Kim, J.H, Kim, K.K.
Deposit date:2014-01-19
Release date:2014-04-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and kinetic bases for the metal preference of the M18 aminopeptidase from Pseudomonas aeruginosa
Biochem.Biophys.Res.Commun., 447, 2014
4ZE3
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BU of 4ze3 by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with fluconazole
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A.
Deposit date:2015-04-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
4GKH
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BU of 4gkh by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor 1-NA-PP1
Descriptor: 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Todorovic, N, Capretta, A, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-08-11
Release date:2012-09-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.863 Å)
Cite:Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
4N6W
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BU of 4n6w by Molmil
X-Ray Crystal Structure of Citrate-bound PhnZ
Descriptor: CITRATE ANION, FE (III) ION, Predicted HD phosphohydrolase PhnZ
Authors:Worsdorfer, B, Lingaraju, M, Yennawar, N.H, Boal, A.K, Krebs, C, Bollinger Jr, J.M, Pandelia, M.E.
Deposit date:2013-10-14
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases.
Proc.Natl.Acad.Sci.USA, 110, 2013
4G1P
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BU of 4g1p by Molmil
Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccharomyces cerevisiae
Descriptor: CYSTEINE, Cys-Gly metallodipeptidase DUG1, GLYCINE, ...
Authors:Singh, A.K, Singh, M, Pandya, V.K, Singh, V, Mittal, M, Kumaran, S.
Deposit date:2012-07-11
Release date:2013-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccromyces cerevesiae
To be published
4YA0
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BU of 4ya0 by Molmil
Yeast 20S proteasome beta2-H116E mutant in complex with Ac-PAE-ep
Descriptor: Ac-PAE-ep, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-17
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015

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