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5EAB
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BU of 5eab by Molmil
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-tebuconazole
Descriptor: (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C.
Deposit date:2015-10-16
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
5E2W
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BU of 5e2w by Molmil
Anti-TAU AT8 FAB with triply phosphorylated TAU peptide
Descriptor: AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, TAU-PHOSPHOPEPTIDE
Authors:Malia, T, Teplyakov, A.
Deposit date:2015-10-01
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8.
Proteins, 84, 2016
5EBL
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BU of 5ebl by Molmil
KcsA T75G in the Conductive State
Descriptor: Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ...
Authors:Matulef, K, Valiyaveetil, F.I.
Deposit date:2015-10-19
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation.
Structure, 24, 2016
5ECT
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BU of 5ect by Molmil
Mycobacterium tuberculosis dUTPase G143STOP mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Nagy, G.N, Leveles, I, Harmat, V, Vertessy, G.B.
Deposit date:2015-10-20
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural Characterization of Arginine Fingers: Identification of an Arginine Finger for the Pyrophosphatase dUTPases.
J. Am. Chem. Soc., 138, 2016
5EAT
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BU of 5eat by Molmil
5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM WITH SUBSTRATE ANALOG FARNESYL HYDROXYPHOSPHONATE
Descriptor: 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID, 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION
Authors:Starks, C.M, Back, K, Chappell, J, Noel, J.P.
Deposit date:1997-07-24
Release date:1997-11-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for cyclic terpene biosynthesis by tobacco 5-epi-aristolochene synthase.
Science, 277, 1997
5EAS
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BU of 5eas by Molmil
5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM
Descriptor: 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION
Authors:Starks, C.M, Back, K, Chappell, J, Noel, J.P.
Deposit date:1997-06-19
Release date:1997-10-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for cyclic terpene biosynthesis by tobacco 5-epi-aristolochene synthase.
Science, 277, 1997
5EEB
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BU of 5eeb by Molmil
Apo form of thermostable aldehyde dehydrogenase from Pyrobaculum sp. 1860
Descriptor: Aldehyde dehydrogenase
Authors:Petrova, T.E, Bezsudnova, E.Y, Boyko, K.M, Mardanov, A.V, Gumerov, V.M, Ravin, N.V, Popov, V.O.
Deposit date:2015-10-22
Release date:2016-11-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.038 Å)
Cite:NADP-Dependent Aldehyde Dehydrogenase from ArchaeonPyrobaculum sp.1860: Structural and Functional Features.
Archaea, 2016, 2016
6AQ6
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BU of 6aq6 by Molmil
X-ray crystal structure of Erythrina crista-galli lectin in complex with N-acetyllactosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Gerlits, O, Woods, R.J.
Deposit date:2017-08-18
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Defining the Specificity of Carbohydrate-Protein Interactions by Quantifying Functional Group Contributions.
J Chem Inf Model, 58, 2018
1Q3V
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BU of 1q3v by Molmil
Crystal structure of a wild-type Cre recombinase-loxP synapse: phosphotyrosine covalent intermediate
Descriptor: Cre recombinase, IODIDE ION, MAGNESIUM ION, ...
Authors:Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D.
Deposit date:2003-08-01
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
5EL0
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BU of 5el0 by Molmil
Crystal structure of an Oxidoreductase (short chain dehydrogenase/reductase family) from Brucella ovis in complex with a partially ordered NAD
Descriptor: CALCIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-11-04
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of an Oxidoreductase (short chain dehydrogenase/reductase family) from Brucella ovis in complex with a partially ordered NAD
to be published
1PX9
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BU of 1px9 by Molmil
Solution structure of the native CnErg1 Ergtoxin, a highly specific inhibitor of HERG channel
Descriptor: ergtoxin
Authors:Frenal, K, Wecker, K, Gurrola, G.B, Possani, L.D, Wolff, N, Delepierre, M.
Deposit date:2003-07-03
Release date:2004-06-22
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Exploring structural features of the interaction between the scorpion toxinCnErg1 and ERG K+ channels.
Proteins, 56, 2004
5EIO
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BU of 5eio by Molmil
Crystal structure of LysY from Thermus thermophilus complexed with NADP+ and LysW-gamma-aminoadipic semialdehyde
Descriptor: ACETIC ACID, N-acetyl-gamma-glutamyl-phosphate/N-acetyl-gamma-aminoadipyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Shimizu, T, Tomita, T, Nishiyama, M.
Deposit date:2015-10-30
Release date:2016-03-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the LysYLysW Complex from Thermus thermophilus.
J.Biol.Chem., 291, 2016
5ESI
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BU of 5esi by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
5EE8
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BU of 5ee8 by Molmil
Crystal structure of S02030 boronic acid inhibitor complexed to SHV-1 beta-lactamase
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Krishnan, N, van den Akker, F.
Deposit date:2015-10-22
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal Structures of KPC-2 and SHV-1 beta-Lactamases in Complex with the Boronic Acid Transition State Analog S02030.
Antimicrob.Agents Chemother., 60, 2016
5EER
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BU of 5eer by Molmil
Crystal structure of DapB from Corynebacterium glutamicum
Descriptor: 4-hydroxy-tetrahydrodipicolinate reductase, SULFATE ION
Authors:Sagong, H.-Y, Kim, K.-J.
Deposit date:2015-10-23
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insight into Dihydrodipicolinate Reductase from Corybebacterium glutamicum for Lysine Biosynthesis.
J. Microbiol. Biotechnol., 26, 2016
5EGQ
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BU of 5egq by Molmil
Structure of tetrameric rat phenylalanine hydroxylase mutant R270K, residues 25-453
Descriptor: Phenylalanine-4-hydroxylase, SULFATE ION
Authors:Taylor, A.B, Khan, C.A, Fitzpatrick, P.F.
Deposit date:2015-10-27
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Domain Movements upon Activation of Phenylalanine Hydroxylase Characterized by Crystallography and Chromatography-Coupled Small-Angle X-ray Scattering.
J.Am.Chem.Soc., 138, 2016
1Q3U
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BU of 1q3u by Molmil
Crystal structure of a wild-type Cre recombinase-loxP synapse: pre-cleavage complex
Descriptor: Cre recombinase, IODIDE ION, MAGNESIUM ION, ...
Authors:Ennifar, E, Meyer, J.E.W, Buchholz, F, Stewart, A.F, Suck, D.
Deposit date:2003-08-01
Release date:2003-09-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a wild-type Cre recombinase-loxP synapse reveals a novel spacer conformation suggesting an alternative mechanism for DNA cleavage activation
Nucleic Acids Res., 31, 2003
5EIN
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BU of 5ein by Molmil
Crystal structure of C148A mutant of LysY from Thermus thermophilus in complex with NADP+ and LysW-gamma-aminoadipic acid
Descriptor: Alpha-aminoadipate carrier protein LysW, FORMIC ACID, N-acetyl-gamma-glutamyl-phosphate/N-acetyl-gamma-aminoadipyl-phosphate reductase, ...
Authors:Shimizu, T, Tomita, T, Nishiyama, M.
Deposit date:2015-10-30
Release date:2016-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the LysYLysW Complex from Thermus thermophilus.
J.Biol.Chem., 291, 2016
5EDX
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BU of 5edx by Molmil
Crystal structure of swine CD8aa homodimer
Descriptor: CD8 alpha antigen
Authors:Liu, Y.J, Qi, J.X, Zhang, N.Z, Xia, C.
Deposit date:2015-10-22
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species.
Sci Rep, 6, 2016
5EFF
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BU of 5eff by Molmil
Crystal structure of an aromatic mutant (F4A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
Descriptor: Beta-xylanase, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S.
Deposit date:2015-10-23
Release date:2016-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of an aromatic mutant (F4A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
To Be Published
5EK8
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BU of 5ek8 by Molmil
Crystal structure of a 9R-lipoxygenase from Cyanothece PCC8801 at 2.7 Angstroms
Descriptor: FE (II) ION, Lipoxygenase, SODIUM ION
Authors:Feussner, I, Ficner, R, Neumann, P, Newie, J, Andreou, A, Einsle, O.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a lipoxygenase from Cyanothece sp. may reveal novel features for substrate acquisition.
J.Lipid Res., 57, 2016
6JQO
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BU of 6jqo by Molmil
Structure of PaaZ, a bifunctional enzyme in complex with NADP+ and CCoA
Descriptor: Bifunctional protein PaaZ, CROTONYL COENZYME A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gakher, L, Vinothkumar, K.R, Katagihallimath, N, Sowdhamini, R, Sathyanarayanan, N, Cannone, G.
Deposit date:2019-03-31
Release date:2019-09-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis for metabolite channeling in a ring opening enzyme of the phenylacetate degradation pathway.
Nat Commun, 10, 2019
5EJ3
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BU of 5ej3 by Molmil
Crystal structure of XlnB2
Descriptor: Endo-1,4-beta-xylanase B
Authors:Couture, J.-F.
Deposit date:2015-11-01
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.314 Å)
Cite:Ligand Binding Enhances Millisecond Conformational Exchange in Xylanase B2 from Streptomyces lividans.
Biochemistry, 55, 2016
5EK3
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BU of 5ek3 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue
Descriptor: (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Peng, Y.H, Wu, J.S, Wu, S.Y.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1
J.Med.Chem., 59, 2016
5EDT
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BU of 5edt by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9
Descriptor: 2-azanyl-5-chloranyl-benzamide, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kavanagh, M.E, Coyne, A.G, McLean, K.J, James, G.G, Levy, C, Marino, L.B, Carvalho, L.P.D, Chan, D.S.H, Hudson, S.A, Surade, S, Munro, A.W, Abell, C.
Deposit date:2015-10-22
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016

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