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4XN4
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BU of 4xn4 by Molmil
Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Methionine
Descriptor: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-15
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Methionine
To Be Published
1UG9
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BU of 1ug9 by Molmil
Crystal Structure of Glucodextranase from Arthrobacter globiformis I42
Descriptor: CALCIUM ION, GLYCEROL, glucodextranase
Authors:Mizuno, M, Tonozuka, T, Suzuki, S, Uotsu-Tomita, R, Ohtaki, A, Kamitori, S, Nishikawa, A, Sakano, Y.
Deposit date:2003-06-16
Release date:2003-12-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into substrate specificity and function of glucodextranase
J.Biol.Chem., 279, 2004
6I5I
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BU of 6i5i by Molmil
Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h
Descriptor: 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine, Dual specificity protein kinase CLK1
Authors:Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-11-13
Release date:2019-01-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
4XN7
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BU of 4xn7 by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-2,3-Diaminopropionic acid
Descriptor: Aminopeptidase N, DIAMINOPROPANOIC ACID, GLYCEROL, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-15
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of E. coli Aminopeptidase N in complex with L-2,3-Diaminopropionic acid
To Be Published
6I5S
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BU of 6i5s by Molmil
AH, Bottromycin amidohydrolase
Descriptor: CHLORIDE ION, GLYCEROL, ZINC ION, ...
Authors:Koehnke, J, Sikandar, A.
Deposit date:2018-11-14
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Thiazoline-Specific Amidohydrolase PurAH Is the Gatekeeper of Bottromycin Biosynthesis.
J.Am.Chem.Soc., 141, 2019
2W99
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BU of 2w99 by Molmil
Crystal Structure of CDK4 in complex with a D-type cyclin
Descriptor: CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1
Authors:Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
Deposit date:2009-01-22
Release date:2009-03-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
4XP1
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BU of 4xp1 by Molmil
X-ray structure of Drosophila dopamine transporter bound to neurotransmitter dopamine
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gouaux, E, Penmatsa, A, Wang, K.
Deposit date:2015-01-16
Release date:2015-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
4XPG
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BU of 4xpg by Molmil
X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to beta-CFT or Win35428
Descriptor: CHLORIDE ION, CHOLESTEROL, Dopamine transporter, ...
Authors:Penmatsa, A, Wang, K.H, Gouaux, E.
Deposit date:2015-01-16
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
1U0X
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BU of 1u0x by Molmil
Crystal structure of nitrophorin 4 under pressure of xenon (200 psi)
Descriptor: AMMONIA, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Nienhaus, K, Maes, E.M, Weichsel, A, Montfort, W.R, Nienhaus, G.U.
Deposit date:2004-07-14
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural dynamics controls nitric oxide affinity in nitrophorin 4
J.Biol.Chem., 279, 2004
4XQ0
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BU of 4xq0 by Molmil
Structure of fission yeast RNA polymerase II CTD phosphatase Fcp1-R271A bound to beryllium fluoride
Descriptor: MAGNESIUM ION, RNA polymerase II subunit A C-terminal domain phosphatase, TETRAETHYLENE GLYCOL
Authors:Ghosh, A, Lima, C.D.
Deposit date:2015-01-18
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Genetic and structural analysis of the essential fission yeast RNA polymerase II CTD phosphatase Fcp1.
Rna, 21, 2015
6B0S
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BU of 6b0s by Molmil
Crystal structure of circumsporozoite protein aTSR domain in complex with 1710 antibody
Descriptor: 1710 antibody, heavy chain, light chain, ...
Authors:Scally, S.W, Murugan, R, Bosch, A, Triller, G, Wardemann, H, Julien, J.P.
Deposit date:2017-09-15
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Rare PfCSP C-terminal antibodies induced by live sporozoite vaccination are ineffective against malaria infection.
J. Exp. Med., 215, 2018
4XR9
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BU of 4xr9 by Molmil
Crystal structure of CalS8 from Micromonospora echinospora cocrystallized with NAD and TDP-glucose
Descriptor: CalS8, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Michalska, K, Bigelow, L, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-01-20
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of CalS8 from Micromonospora echinospora
To Be Published
4MHR
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BU of 4mhr by Molmil
Crystal structure of EctD from S. alaskensis in its apoform
Descriptor: Ectoine hydroxylase
Authors:Widderich, N, Hoeppner, A, Pittelkow, M, Heider, J, Smits, S.H, Bremer, E.
Deposit date:2013-08-30
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the ectoine hydroxylase, a snapshot of the active site.
J.Biol.Chem., 289, 2014
4XW0
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BU of 4xw0 by Molmil
Crystal structure of (GCCU(G-LNA)CCUGC)2 duplex
Descriptor: RNA (5'-R(*GP*CP*CP*UP*(LCG)P*CP*CP*UP*GP*C)-3'), SULFATE ION
Authors:Kiliszek, A, Banaszak, K, Rypniewski, W.
Deposit date:2015-01-28
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Watson-Crick-like pairs in CCUG repeats: evidence for tautomeric shifts or protonation.
Rna, 22, 2016
4XCR
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BU of 4xcr by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant I35A
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Wang, H, Logan, D.T, Danielsson, J, Mu, X, Binolfi, A, Theillet, F, Bekei, B, Lang, L, Wennerstrom, H, Selenko, P, Oliveberg, M.
Deposit date:2014-12-18
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.602 Å)
Cite:Thermodynamics of protein destabilization in live cells.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
4XXI
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BU of 4xxi by Molmil
Crystal structure of the Bilin-binding domain of phycobilisome core-membrane linker ApcE
Descriptor: PHYCOCYANOBILIN, Phycobiliprotein ApcE
Authors:Tang, K, Ding, W.-L, Hoppner, A, Gartner, W, Zhao, K.-H.
Deposit date:2015-01-30
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The terminal phycobilisome emitter, LCM: A light-harvesting pigment with a phytochrome chromophore
Proc.Natl.Acad.Sci.USA, 112, 2015
6IP3
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BU of 6ip3 by Molmil
Structure of human telomeric DNA at 1.4 Angstroms resolution
Descriptor: DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), POTASSIUM ION
Authors:Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe.
Nucleic Acids Res., 47, 2019
6IPA
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BU of 6ipa by Molmil
C-terminal EMAP II-like domain of p43 refined against twinned data
Descriptor: aminoacyl-tRNA synthetase-interacting multifunctional protein p43
Authors:Manickam, Y, Harlos, K, Gupta, S, Sharma, A.
Deposit date:2018-11-02
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein.
Acta Crystallogr D Struct Biol, 76, 2020
4MK7
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BU of 4mk7 by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 2 (3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one)
Descriptor: 3-(3-tert-butyl-4-methoxyphenyl)pyridin-2(1H)-one, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Harris, S.F, Wong, A.
Deposit date:2013-09-04
Release date:2013-10-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
4XFE
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BU of 4xfe by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound D-glucuronate
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, SULFATE ION, TRAP dicarboxylate transporter subunit DctP, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-26
Release date:2015-01-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a TRAP periplasmic solute binding protein from Pseudomonas putida F1 (Pput_1203), Target EFI-500184, with bound D-glucuronate
To be published
6AWA
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BU of 6awa by Molmil
1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate.
Descriptor: ADENOSINE MONOPHOSPHATE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-09-05
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD and Adenosine-5'-monophosphate.
To Be Published
6IDM
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BU of 6idm by Molmil
Crystal structure of Peptidoglycan recognition protein (PGRP-S) with Tartaric acid at 3.20 A resolution
Descriptor: L(+)-TARTARIC ACID, Peptidoglycan recognition protein 1
Authors:Bairagya, H.R, Shokeen, A, Sharma, P, Singh, P.K, Sharma, S, Singh, T.P.
Deposit date:2018-09-10
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of Peptidoglycan recognition protein (PGRP-S) with Tartaric acid at 3.20 A resolution
To Be Published
4XIH
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BU of 4xih by Molmil
Crystal structure of the R116A mutant AhpE from Mycobacterium tuberculosis
Descriptor: AhpC/TSA family protein
Authors:Tamu Dufe, V, van Molle, I, Pallo, A, Messens, J.
Deposit date:2015-01-07
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE.
Chem.Commun.(Camb.), 52, 2016
6ANF
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BU of 6anf by Molmil
Design of a short thermo-stable alpha-helix embedded in a macrocycle
Descriptor: 3,3'-dimethyl-1,1'-biphenyl, Capped-strapped peptide
Authors:Wu, H, Acharyya, A, Wu, Y, Liu, L, Jo, H, Gai, F, DeGrado, W.F.
Deposit date:2017-08-13
Release date:2018-02-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle.
Chembiochem, 19, 2018
6AR2
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BU of 6ar2 by Molmil
Structure of human SLMAP FHA domain in complex with pMST2
Descriptor: ASP-GLY-TPO-MET-LYS-ARG, Sarcolemmal membrane-associated protein
Authors:Osinski, A, Ni, L, Luo, X.
Deposit date:2017-08-21
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:SAV1 promotes Hippo kinase activation through antagonizing the PP2A phosphatase STRIPAK.
Elife, 6, 2017

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