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5ILZ
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BU of 5ilz by Molmil
Tobacco 5-epi-aristolochene synthase with BIS-TRIS propane (BTP) buffer molecule
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-epi-aristolochene synthase
Authors:Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P.
Deposit date:2016-03-05
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
5LKA
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BU of 5lka by Molmil
Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution
Descriptor: Haloalkane dehalogenase, THIOCYANATE ION
Authors:Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
Deposit date:2016-07-21
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Engineering a de novo transport tunnel.
Acs Catalysis, 2016
5LFA
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BU of 5lfa by Molmil
Crystal structure of iron-sulfur cluster containing bacterial (6-4) photolyase PhrB - Y424F mutant with impaired DNA repair activity
Descriptor: (6-4) photolyase, 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Kwiatkowski, D, Zhang, F, Krauss, N, Lamparter, T, Scheerer, P.
Deposit date:2016-06-30
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity.
Photochem. Photobiol., 93, 2017
5IK0
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BU of 5ik0 by Molmil
Tobacco 5-epi-aristolochene synthase with FPP
Descriptor: 5-epi-aristolochene synthase, FARNESYL DIPHOSPHATE, MAGNESIUM ION
Authors:Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P.
Deposit date:2016-03-03
Release date:2016-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
5IK9
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BU of 5ik9 by Molmil
Tobacco 5-epi-aristolochene with farnesyl monophosphate
Descriptor: (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate, 5-epi-aristolochene synthase, MAGNESIUM ION
Authors:Koo, H.J, Xu, Y, Louie, G.V, Bowman, M, Noel, J.P.
Deposit date:2016-03-03
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
5LFV
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BU of 5lfv by Molmil
Crystal structure of glycosylated Myelin-associated glycoprotein (MAG) Ig1-3 with soaked trisaccharide ligand
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Myelin-associated glycoprotein, ...
Authors:Pronker, M.F, Janssen, B.J.C.
Deposit date:2016-07-04
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of myelin-associated glycoprotein adhesion and signalling.
Nat Commun, 7, 2016
5LKD
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BU of 5lkd by Molmil
Crystal structure of the Xi glutathione transferase ECM4 from Saccharomyces cerevisiae in complex with glutathione
Descriptor: GLUTATHIONE, Glutathione S-transferase omega-like 2
Authors:Schwartz, M, Didierjean, C, Hecker, A, Girardet, J.M, Morel-Rouhier, M, Gelhaye, E, Favier, F.
Deposit date:2016-07-22
Release date:2016-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of Saccharomyces cerevisiae ECM4, a Xi-Class Glutathione Transferase that Reacts with Glutathionyl-(hydro)quinones.
Plos One, 11, 2016
5INK
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BU of 5ink by Molmil
Mouse Tdp2 reaction product (5'-phosphorylated DNA)-abasic/THF-Mg2+ complex
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DNA (5'-D(P*(3DR)P*CP*GP*AP*AP*TP*TP*CP*G)-3'), ...
Authors:Schellenberg, M.J, Williams, R.S.
Deposit date:2016-03-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
5ILI
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BU of 5ili by Molmil
Tobacco 5-epi-aristolochene synthase with CAPSO buffer molecule and Mg2+ ions
Descriptor: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 5-epi-aristolochene synthase, ...
Authors:Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
5LSE
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BU of 5lse by Molmil
PHOTOSYNTHETIC REACTION CENTER MUTANT WITH Glu L212 replaced with Ala (CHAIN L, EL212W), Asp L213 replaced with ALA (Chain L, DL213A) AND LEU M215 REPLACED WITH ALA (CHAIN M, LM215A)
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Fyfe, P.K, Jones, M.R.
Deposit date:2016-08-25
Release date:2016-11-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:On the mechanism of ubiquinone mediated photocurrent generation by a reaction center based photocathode.
Biochim.Biophys.Acta, 1857, 2016
5INM
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BU of 5inm by Molmil
Mouse Tdp2 protein, apo state with variable DNA-binding grasp conformations
Descriptor: GLYCEROL, MAGNESIUM ION, SULFATE ION, ...
Authors:Schellenberg, M.J, Williams, R.S.
Deposit date:2016-03-07
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
5I9E
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BU of 5i9e by Molmil
Crystal structure of a nuclear actin ternary complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ...
Authors:Chen, Z, Cao, T.
Deposit date:2016-02-20
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a nuclear actin ternary complex.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IQ1
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BU of 5iq1 by Molmil
Crystal structure of RnTmm mutant Y207S
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, C.Y, Zhang, Y.Z.
Deposit date:2016-03-10
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
5LX9
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BU of 5lx9 by Molmil
CRYSTAL STRUCTURE OF HUMAN ADIPONECTIN RECEPTOR 2 IN COMPLEX WITH A C18 FREE FATTY ACID AT 2.4 ANGSTROM RESOLUTION
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, HUMAN ADIPONECTIN RECEPTOR 2, OLEIC ACID, ...
Authors:Vasiliauskaite-Brooks, I, Leyrat, C, Hoh, F, Granier, S.
Deposit date:2016-09-20
Release date:2017-03-22
Last modified:2017-04-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into adiponectin receptors suggest ceramidase activity.
Nature, 6, 2017
5LEV
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BU of 5lev by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant)
Descriptor: UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND
Authors:Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2016-06-30
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
5ILD
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BU of 5ild by Molmil
Tobacco 5-epi-aristolochene synthase with MES buffer molecule and Mg2+ ions
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-epi-aristolochene synthase, MAGNESIUM ION
Authors:Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P.
Deposit date:2016-03-04
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
5LDS
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BU of 5lds by Molmil
Structure of the porcine aminopeptidase N ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Santiago, C, Reguera, J, Mudgal, G, Casasnovas, J.M.
Deposit date:2016-06-27
Release date:2017-04-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric inhibition of aminopeptidase N functions related to tumor growth and virus infection.
Sci Rep, 7, 2017
5LF5
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BU of 5lf5 by Molmil
Myelin-associated glycoprotein (MAG) deglycosylated full extracellular domain with co-purified ligand
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Myelin-associated glycoprotein, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ...
Authors:Pronker, M.F, Janssen, B.J.C.
Deposit date:2016-06-30
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis of myelin-associated glycoprotein adhesion and signalling.
Nat Commun, 7, 2016
5IBJ
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BU of 5ibj by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 6
Descriptor: 4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5LJO
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BU of 5ljo by Molmil
E. coli BAM complex (BamABCDE) by cryoEM
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J.
Deposit date:2016-07-19
Release date:2016-10-12
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM.
Nat Commun, 7, 2016
5LKR
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BU of 5lkr by Molmil
Human Butyrylcholinesterase complexed with N-Propargyliperidines
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ...
Authors:Coquelle, N, Knez, D, Colletier, J.P, Gobec, S.
Deposit date:2016-07-23
Release date:2016-12-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents.
Bioorg. Med. Chem., 25, 2017
5IM1
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BU of 5im1 by Molmil
Tobacco 5-epi-aristolochene synthase without buffer molecule in the active site
Descriptor: 5-epi-aristolochene synthase
Authors:Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P.
Deposit date:2016-03-05
Release date:2017-03-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
5M12
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BU of 5m12 by Molmil
Structure of GH36 alpha-galactosidase from Thermotoga maritima in complex with intact cyclopropyl-carbasugar.
Descriptor: (1~{R},2~{S},3~{S},4~{R},5~{S},6~{S})-5-[3,5-bis(fluoranyl)phenoxy]-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol, Alpha-galactosidase, MAGNESIUM ION, ...
Authors:Pengelly, R, Gloster, T.
Deposit date:2016-10-07
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
5LXG
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BU of 5lxg by Molmil
Revised crystal structure of the human adiponectin receptor 1 in an open conformation
Descriptor: Adiponectin receptor protein 1, SULFATE ION, V REGION HEAVY CHAIN, ...
Authors:Leyrat, C, Vasiliauskaite-Brooks, I, Granier, S.
Deposit date:2016-09-21
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structural insights into adiponectin receptors suggest ceramidase activity.
Nature, 6, 2017
5LLU
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BU of 5llu by Molmil
Structure of the thermostabilized EAAT1 cryst-II mutant in complex with L-ASP
Descriptor: ASPARTIC ACID, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, SODIUM ION
Authors:Canul-Tec, J, Assal, R, Legrand, P, Reyes, N.
Deposit date:2016-07-28
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structure and allosteric inhibition of excitatory amino acid transporter 1.
Nature, 544, 2017

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