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7R2S
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BU of 7r2s by Molmil
Crystal structure of a flavodiiron protein D52K mutant from Escherichia coli pressurized with krypton gas
Descriptor: Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Borges, P.T, Teixeira, M, Romao, C.V, Frazao, C.
Deposit date:2022-02-05
Release date:2023-02-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Crystal structure of a flavodiiron protein D52K mutant from Escherichia coli pressurized with krypton gas
To Be Published
5D9Y
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BU of 5d9y by Molmil
Crystal structure of TET2-5fC complex
Descriptor: DNA (5'-D(*AP*CP*TP*GP*TP*(5FC)P*GP*AP*AP*GP*CP*T)-3'), DNA (5'-D(*AP*GP*CP*TP*TP*CP*GP*AP*CP*AP*GP*T)-3'), FE (III) ION, ...
Authors:Hu, L, Cheng, J, Rao, Q, Li, Z, Li, J, Xu, Y.
Deposit date:2015-08-19
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:Structural insight into substrate preference for TET-mediated oxidation.
Nature, 527, 2015
5D94
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BU of 5d94 by Molmil
Crystal structure of LC3-LIR peptide complex
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B, Peptide from FYVE and coiled-coil domain-containing protein 1
Authors:Takagi, K, Mizushima, T, Johansen, T.
Deposit date:2015-08-18
Release date:2015-10-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:FYCO1 Contains a C-terminally Extended, LC3A/B-preferring LC3-interacting Region (LIR) Motif Required for Efficient Maturation of Autophagosomes during Basal Autophagy
J.Biol.Chem., 290, 2015
6T8K
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BU of 6t8k by Molmil
Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with Man9GlcNAc product in P1
Descriptor: CALCIUM ION, Endo-beta-N-acetylglucosaminidase F1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Trastoy, B, Du, J.J, Klontz, E.H, Cifuente, J.O, Sundberg, E.J, Guerin, M.E.
Deposit date:2019-10-24
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of mammalian high-mannose N-glycan processing by human gut Bacteroides.
Nat Commun, 11, 2020
4W5H
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BU of 4w5h by Molmil
New structural conformations of adenylate kinase from Streptococcus pneumoniae D39
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Adenylate kinase
Authors:Thach, T.T, Lee, S.H.
Deposit date:2014-08-18
Release date:2014-11-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:New crystal structures of adenylate kinase from Streptococcus pneumoniae D39 in two conformations.
Acta Crystallogr.,Sect.F, 70, 2014
4W5K
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BU of 4w5k by Molmil
Structure of a mitochondrial aspartate aminotransferase from Trypanosoma brucei, K237A mutant
Descriptor: 1,2-ETHANEDIOL, Aspartate aminotransferase, mitochondrial, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-08-18
Release date:2014-09-24
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of aspartate aminotransferases from Trypanosoma brucei, Leishmania major and Giardia lamblia.
Acta Crystallogr.,Sect.F, 71, 2015
7R5B
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BU of 7r5b by Molmil
Crystal structure of BRD4(1) in complex with the inhibitor MPM2
Descriptor: (R,R)-2,3-BUTANEDIOL, 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one, Bromodomain-containing protein 4, ...
Authors:Huegle, M.
Deposit date:2022-02-10
Release date:2023-02-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A novel pan-selective bromodomain inhibitor for epigenetic drug design
Eur.J.Med.Chem., 249, 2023
4W5W
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BU of 4w5w by Molmil
Rubisco activase from Arabidopsis thaliana
Descriptor: Ribulose bisphosphate carboxylase/oxygenase activase, chloroplastic, SULFATE ION
Authors:Hasse, D, Larsson, A.M, Andersson, I.
Deposit date:2014-08-19
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of Arabidopsis thaliana Rubisco activase
Acta Crystallogr.,Sect.D, 71, 2015
7R2Y
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BU of 7r2y by Molmil
Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with ATP resulting from short ATP soak, conflicting T-loop and C-loop with partial occupancy
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Membrane-associated protein slr1513, SODIUM ION
Authors:Selim, K.A, Albrecht, R, Hartmann, M.D.
Deposit date:2022-02-06
Release date:2023-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
5XLD
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BU of 5xld by Molmil
The structure of hemagglutinin Q226L-G228S mutant from an avian-origin H4N6 influenza virus in complex with human receptor analog LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Song, H, Qi, J, Gao, F.G.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
5DBO
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BU of 5dbo by Molmil
Crystal structure of the tetrameric eIF2B-beta2-delta2 complex from C. thermophilum
Descriptor: Translation initiation factor eIF2b-like protein,Translation initiation factor eIF2b-like protein, Translation initiation factor eif-2b-like protein
Authors:Kuhle, B, Ficner, R.
Deposit date:2015-08-21
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Architecture of the eIF2B regulatory subcomplex and its implications for the regulation of guanine nucleotide exchange on eIF2.
Nucleic Acids Res., 43, 2015
7QZJ
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BU of 7qzj by Molmil
1.55 A X-ray crystallographic structure of SapH from Streptomyces sp. (HPH0547) involved in Pseudouridimycin biosynthesis
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, GLYCEROL, ...
Authors:Schnell, R, Schneider, G.
Deposit date:2022-01-31
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Pseudouridine-Modifying Enzymes SapB and SapH Control Entry into the Pseudouridimycin Biosynthetic Pathway.
Acs Chem.Biol., 18, 2023
5DBN
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BU of 5dbn by Molmil
Crystal structure of AtoDA complex
Descriptor: Acetate CoA-transferase subunit alpha, Acetate CoA-transferase subunit beta, CHLORIDE ION, ...
Authors:Arbing, M.A, Koo, C.W, Shin, A, Medrano-Soto, A, Eisenberg, D.
Deposit date:2015-08-21
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.549 Å)
Cite:Crystal structure of AtoDA complex
To Be Published
5DCN
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BU of 5dcn by Molmil
Crystal structure of LC3 in complex with TECPR2 LIR
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION
Authors:Stadel, D, Huber, J, Dotsch, V, Rogov, V.V, Behrends, C, Akutsu, M.
Deposit date:2015-08-24
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:TECPR2 Cooperates with LC3C to Regulate COPII-Dependent ER Export.
Mol.Cell, 60, 2015
5DCX
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BU of 5dcx by Molmil
Structural studies of AAV2 Rep68 reveal a partially structured linker and compact domain conformation
Descriptor: MAGNESIUM ION, Protein Rep68
Authors:Musayev, F.N, Zarate-Perez, F.
Deposit date:2015-08-24
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Studies of AAV2 Rep68 Reveal a Partially Structured Linker and Compact Domain Conformation.
Biochemistry, 54, 2015
7R30
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BU of 7r30 by Molmil
Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with ADP and AMP resulting from ADP soak
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, HEXAETHYLENE GLYCOL, ...
Authors:Selim, K.A, Albrecht, R, Hartmann, M.D.
Deposit date:2022-02-06
Release date:2023-02-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
5X61
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BU of 5x61 by Molmil
Crystal structure of Acetylcholinesterase Catalytic Subunit of the Malaria Vector Anopheles Gambiae, 3.4 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMMONIUM ION, ...
Authors:Han, Q, Robinson, H, Ding, H, Wong, D.M, Lam, P.C.H, Totrov, M.M, Carlier, P.R, Li, J.
Deposit date:2017-02-20
Release date:2017-03-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector Anopheles gambiae
Insect Sci., 2017
5DEB
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BU of 5deb by Molmil
2009 H1N1 PA endonuclease mutant E119D in complex with rUMP
Descriptor: MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE
Authors:Kumar, G, White, S.W.
Deposit date:2015-08-25
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor.
Proc.Natl.Acad.Sci.USA, 113, 2016
4W71
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BU of 4w71 by Molmil
Crystal structure of a prion peptide
Descriptor: PrP peptide
Authors:Yu, L, Lee, S.-J, Yee, V.
Deposit date:2014-08-21
Release date:2015-05-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations.
Biochemistry, 54, 2015
5DDB
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BU of 5ddb by Molmil
Menin in complex with MI-319
Descriptor: 4-{4-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J.
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
5XN0
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BU of 5xn0 by Molmil
HIV-1 reverse transcriptase Q151M:DNA binary complex
Descriptor: 38-MER DNA aptamer, GLYCEROL, Pol protein, ...
Authors:Yasutake, Y, Tamura, N, Hayashi, H, Maeda, K.
Deposit date:2017-05-17
Release date:2018-02-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:HIV-1 with HBV-associated Q151M substitution in RT becomes highly susceptible to entecavir: structural insights into HBV-RT inhibition by entecavir.
Sci Rep, 8, 2018
5DEI
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BU of 5dei by Molmil
BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
Descriptor: BICARBONATE ION, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Bera, A.K, Hasson, M.S.
Deposit date:2015-08-25
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
to be published
4W7P
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BU of 4w7p by Molmil
Crystal Structure of ROCK 1 bound to YB-15-QD37
Descriptor: N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine, Rho-associated protein kinase 1
Authors:Sprague, E.R.
Deposit date:2014-08-22
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension.
Bioorg.Med.Chem.Lett., 24, 2014
4W84
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BU of 4w84 by Molmil
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in the native form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase
Authors:Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
7QXF
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BU of 7qxf by Molmil
Fructose-6-phosphate aldolase (FSA) mutant R134V, S166G, with covalently bound active site ligand
Descriptor: Fructose-6-phosphate aldolase 1
Authors:Dobritzsch, D, Widersten, M, Engel, S.
Deposit date:2022-01-26
Release date:2023-02-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Engineered aldolases catalyzing stereoselective aldol reactions between aryl-substituted ketones and aldehydes
Catalysis Science And Technology, 13, 2023

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