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5NRD
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BU of 5nrd by Molmil
A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - alpha-3GalT in complex with Co2+, UDP-Gal and lactose - a3GalT-Co2+-UDP-Gal-LAT-2
Descriptor: COBALT (II) ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E.
Deposit date:2017-04-22
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NR9
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BU of 5nr9 by Molmil
A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (alpha-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - Unliganded alpha-3GalT
Descriptor: GLYCEROL, N-acetyllactosaminide alpha-1,3-galactosyltransferase
Authors:Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E.
Deposit date:2017-04-22
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
4WX3
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BU of 4wx3 by Molmil
pore-forming thermostable direct hemolysin from Grimontia hollisae
Descriptor: Hemolysin, heat labile
Authors:Wang, Y.-K, Wu, T.-K, Li, T.-H.T.
Deposit date:2014-11-13
Release date:2015-11-18
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Multiple pleomorphic tetramers of pore-forming thermostable direct hemolysin from Grimontia hollisae in exerting membrane binding and hemolytic activity
To be published
6SLJ
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BU of 6slj by Molmil
Structure of the RagAB peptide transporter
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ALA-SER-THR-THR-GLY-ALA-ASN-SER-GLN-ARG, ...
Authors:Madej, M, Ranson, N.A, White, J.B.R.
Deposit date:2019-08-20
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
5N2O
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BU of 5n2o by Molmil
Structure Of P63 SAM Domain L514F Mutant Causative Of AEC Syndrome
Descriptor: Tumor protein 63
Authors:Rinnenthal, J, Wuerz, J.M, Osterburg, C, Guentert, P, Doetsch, V.
Deposit date:2017-02-08
Release date:2018-02-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Protein aggregation of the p63 transcription factor underlies severe skin fragility in AEC syndrome.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5GGF
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BU of 5ggf by Molmil
Crystal structure of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase form II
Descriptor: Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
Authors:Kuwabara, N, Senda, T, Kato, R.
Deposit date:2016-06-15
Release date:2016-08-10
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
6RJL
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BU of 6rjl by Molmil
Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-04-27
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RFK
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BU of 6rfk by Molmil
Crystal structure of EGRCK-inhibited Gla-domainless fIXa (K148Q, R150Q variant)
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Coagulation factor IX, ...
Authors:Huntington, J.A, Sendall, T.J.
Deposit date:2019-04-15
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:NMR resonance assignments of apo and EGRCK-inhibited factor IXa
To Be Published
4ZDP
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BU of 4zdp by Molmil
The crystal structure of Y334C mutant of human SepSecS in complex with selenocysteine tRNA (tRNASec)
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, O-phosphoseryl-tRNA(Sec) selenium transferase, PHOSPHATE ION, ...
Authors:French, R.L, Simonovic, M.
Deposit date:2015-04-17
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Structural basis for early-onset neurological disorders caused by mutations in human selenocysteine synthase.
Sci Rep, 6, 2016
7CD6
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BU of 7cd6 by Molmil
mAPE1-recessed dsDNA product complex
Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*AP*C)-3'), DNA-(apurinic or apyrimidinic site) endonuclease
Authors:Liu, T.C, Hsiao, Y.Y.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:APE1 distinguishes DNA substrates in exonucleolytic cleavage by induced space-filling.
Nat Commun, 12, 2021
4ZEF
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BU of 4zef by Molmil
Crystal structure of substrate binding domain 2 (SBD2) OF ABC transporter GLNPQ from Enterococcus faecalis
Descriptor: Amino acid ABC transporter amino acid-binding/permease, GLUTAMINE
Authors:Fulyani, F, Guskov, A, Poolman, B.
Deposit date:2015-04-20
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of substrate binding domain 2 (SBD2) OF ABC transporter GLNPQ from Enterococcus faecalis
To Be Published
5GJT
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BU of 5gjt by Molmil
Crystal structure of H1 hemagglutinin from A/Washington/05/2011 in complex with a neutralizing antibody 3E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, heavy chain of human neutralizing antibody 3E1, ...
Authors:Wang, W, Zhang, T, Ding, J.
Deposit date:2016-07-01
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Human antibody 3E1 targets the HA stem region of H1N1 and H5N6 influenza A viruses
Nat Commun, 7, 2016
5MTT
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BU of 5mtt by Molmil
Maltodextrin binding protein MalE1 from L. casei BL23 bound to maltotetraose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MalE1, ...
Authors:Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E.
Deposit date:2017-01-10
Release date:2017-07-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
5G1Y
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BU of 5g1y by Molmil
S. enterica HisA mutant D10G, dup13-15,V14:2M, Q24L, G102
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SULFATE ION
Authors:Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2016-04-01
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6RNJ
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BU of 6rnj by Molmil
TR-SMX closed state structure (0-5ms) of bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, F, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-08
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
5GLU
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BU of 5glu by Molmil
Tl-gal with SiaLac
Descriptor: GALECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Jang, S.B, Hwang, E.Y.
Deposit date:2016-07-12
Release date:2016-11-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin
J. Biol. Chem., 291, 2016
7CJ3
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BU of 7cj3 by Molmil
Crystal structure of the transmembrane domain of Salpingoeca rosetta rhodopsin phosphodiesterase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phosphodiesterase, RETINAL
Authors:Ikuta, T, Shihoya, W, Yamashita, K, Nureki, O.
Deposit date:2020-07-09
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into the mechanism of rhodopsin phosphodiesterase.
Nat Commun, 11, 2020
5G2P
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BU of 5g2p by Molmil
The crystal structure of a S-selective transaminase from Arthrobacter sp.
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, TRANSAMINASE
Authors:van Oosterwijk, N, Willies, S, Hekelaar, J, Terwisscha van Scheltinga, A.C, Turner, N.J, Dijkstra, B.W.
Deposit date:2016-04-12
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases
Biochemistry, 55, 2016
4ZA6
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BU of 4za6 by Molmil
Structure of the R. erythropolis transcriptional repressor QsdR from TetR family
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:El Sahili, A, Morera, S.
Deposit date:2015-04-13
Release date:2015-10-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Natural Guided Genome Engineering Reveals Transcriptional Regulators Controlling Quorum-Sensing Signal Degradation.
Plos One, 10, 2015
5GRL
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BU of 5grl by Molmil
Crystal structure of the alpha gamma heterodimer of human IDH3 in complex with Mg(2+), isocitrate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ISOCITRIC ACID, Isocitrate dehydrogenase [NAD] subunit alpha, ...
Authors:Ma, T, Ding, J.
Deposit date:2016-08-11
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Molecular mechanism of the allosteric regulation of the alpha gamma heterodimer of human NAD-dependent isocitrate dehydrogenase.
Sci Rep, 7, 2017
6RQO
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BU of 6rqo by Molmil
Steady-state-SMX activated state structure of bacteriorhodopsin
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-16
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
4YAZ
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BU of 4yaz by Molmil
3',3'-cGAMP riboswitch bound with 3',3'-cGAMP
Descriptor: 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Ren, A.M, Patel, D.J, Rajashankar, R.K.
Deposit date:2015-02-18
Release date:2015-04-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Molecular Discrimination by a 3',3'-cGAMP Sensing Riboswitch.
Cell Rep, 11, 2015
5HE5
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BU of 5he5 by Molmil
BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
Descriptor: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P.
Deposit date:2016-01-05
Release date:2016-03-16
Last modified:2016-04-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HCW
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BU of 5hcw by Molmil
Crystal structure of C-As lyase with mutations Y100H and V102F (monoclinic form)
Descriptor: Glyoxalase/bleomycin resistance protein/dioxygenase
Authors:Venkadesh, S, Yoshinaga, M, Kandavelu, P, Sankaran, B, Rosen, B.P.
Deposit date:2016-01-04
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.785 Å)
Cite:Crystal structure of C-As lyase with mutations Y100H and V102F (monoclinic form)
To Be Published
5MS3
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BU of 5ms3 by Molmil
Kallikrein-related peptidase 8 calcium complex
Descriptor: CALCIUM ION, Kallikrein-8
Authors:Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P.
Deposit date:2016-12-30
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Specificity profiles and antagonistic Ca2+ and Zn2+ regulation of human KLK8/neuropsin activity by modules identified in crystal structures
To Be Published

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