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6MAF
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BU of 6maf by Molmil
native BbvCI A2B2 tetramer at low resolution
Descriptor: BbvCI endonuclease subunit 1, BbvCI endonuclease subunit 2
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2018-08-27
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Structure, subunit organization and behavior of the asymmetric Type IIT restriction endonuclease BbvCI.
Nucleic Acids Res., 47, 2019
3RPZ
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BU of 3rpz by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+ and soaked with NADPH
Descriptor: ADENOSINE MONOPHOSPHATE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, ...
Authors:Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-04-27
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
7AEU
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BU of 7aeu by Molmil
Pressure wave-exposed human hemoglobin: probe only data (5500 indexed images)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Barends, T.R.M, Schlichting, I.
Deposit date:2020-09-18
Release date:2021-02-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
7AET
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BU of 7aet by Molmil
Pressure wave-exposed human hemoglobin: probe only data (3500 indexed images)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Barends, T.R.M, Schlichting, I.
Deposit date:2020-09-18
Release date:2021-02-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
7AEV
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BU of 7aev by Molmil
Pressure wave-exposed human hemoglobin: pump/probe data (3500 indexed images)
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Barends, T.R.M, Schlichting, I.
Deposit date:2020-09-18
Release date:2021-02-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
6V2G
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BU of 6v2g by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate and tetrahedral intermediate.
Descriptor: L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-11-22
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
5Y2P
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BU of 5y2p by Molmil
Crystal Structure of Bacillus sp. TB-90 Urate Oxidase Improved by Humidity Control at 89% RH
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, OXYGEN MOLECULE, ...
Authors:Itoh, T, Nishiya, Y.
Deposit date:2017-07-26
Release date:2018-08-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational Flexibility of Plastic Interface Loop Allows Entropic Adaptation of Urate Oxidase to Environmental pH.
To Be Published
5Y9R
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BU of 5y9r by Molmil
Crystal structure of the oligomerization domain of NSP4 from rotavirus strain MF66
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, NICKEL (II) ION, ...
Authors:Suguna, K, Kumar, S.
Deposit date:2017-08-28
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:New tetrameric forms of the rotavirus NSP4 with antiparallel helices
To Be Published
8UUE
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BU of 8uue by Molmil
Glycine-bound GluN1a-3A LBD heterotetramer (local refinement)
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 3A
Authors:Michalski, K, Furukawa, H.
Deposit date:2023-11-01
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structure and function of GluN1-3A NMDA receptor excitatory glycine receptor channel.
Sci Adv, 10, 2024
6V2C
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BU of 6v2c by Molmil
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate and tetrahedral intermediate
Descriptor: L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-11-22
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of Catalysis by l-Asparaginase.
Biochemistry, 59, 2020
5MEY
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BU of 5mey by Molmil
Crystal structure of Smad4-MH1 bound to the GGCGC site.
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
7AZ5
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BU of 7az5 by Molmil
DNA polymerase sliding clamp from Escherichia coli with peptide 47 bound
Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, Peptide 47, ...
Authors:Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y.
Deposit date:2020-11-16
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
4R3U
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BU of 4r3u by Molmil
Crystal structure of 2-Hydroxyisobutyryl-CoA Mutase
Descriptor: 2-hydroxyisobutyryl-CoA mutase large subunit, 2-hydroxyisobutyryl-CoA mutase small subunit, 3-HYDROXYBUTANOYL-COENZYME A, ...
Authors:Zahn, M, Kurteva-Yaneva, N, Rohwerder, T, Straeter, N.
Deposit date:2014-08-18
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of the stereospecificity of bacterial B12-dependent 2-hydroxyisobutyryl-CoA mutase.
J.Biol.Chem., 290, 2015
3RTQ
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BU of 3rtq by Molmil
Structure of the mouse CD1d-HS44-iNKT TCR complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Yu, E.D, Zajonc, D.M.
Deposit date:2011-05-03
Release date:2012-02-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional characterization of a novel nonglycosidic type I NKT agonist with immunomodulatory properties.
J.Immunol., 188, 2012
5LYN
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BU of 5lyn by Molmil
Structure of the Tpr Domain of Sgt2 in complex with yeast Ssa1 peptide fragment
Descriptor: PRO-THR-VAL-GLU-GLU-VAL-ASP, Small glutamine-rich tetratricopeptide repeat-containing protein 2, ZINC ION
Authors:Krysztofinska, E.M, Evans, N.J, Thapaliya, A, Murray, J.W, Morgan, R.M.L, Martinez-Lumbreras, S, Isaacson, R.L.
Deposit date:2016-09-28
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
4GTE
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BU of 4gte by Molmil
T. Maritima FDTS (E144R mutant) with FAD and Folate
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid, Thymidylate synthase thyX
Authors:Mathews, I.I, Lesley, S.A, Kohen, A, Prabhakar, A.
Deposit date:2012-08-28
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4GTA
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BU of 4gta by Molmil
T. Maritima FDTS with FAD, dUMP, and Folinic Acid
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mathews, I.I, Lesley, S.A, Kohen, A.
Deposit date:2012-08-28
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Folate binding site of flavin-dependent thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E4H
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BU of 4e4h by Molmil
Crystal structure of Histone Demethylase NO66
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
Authors:Wu, M, Tao, Y, Zang, J.
Deposit date:2012-03-13
Release date:2013-01-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:tructural Basis for Tetramerization-dependent Gene Repression by Histone Demethylase NO66
To be Published
5F8A
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BU of 5f8a by Molmil
Crystal structure of the ternary EcoRV-DNA-Lu complex with uncleaved DNA substrate. Lanthanide binding to EcoRV-DNA complex inhibits cleavage.
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*T)-3'), LUTETIUM (III) ION, ...
Authors:Sangani, S.S, Kehr, A.D, Sinha, K, Rule, G.S, Jen-Jacobson, L.
Deposit date:2015-12-09
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex.
Biochemistry, 55, 2016
5NM9
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BU of 5nm9 by Molmil
Crystal structure of the placozoa Trichoplax adhaerens Smad4-MH1 bound to the GGCGC site.
Descriptor: DNA (5'-D(P*AP*TP*GP*CP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*GP*CP*AP*T)-3'), Mothers against decapentaplegic homolog, ZINC ION
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2017-04-05
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
3B04
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BU of 3b04 by Molmil
Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with oIPP.
Descriptor: 1-deoxy-1-[(4aR)-4a-[(2R)-1-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylidenepentan-2-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION
Authors:Unno, H, Nagai, T, Hemmi, H.
Deposit date:2011-06-03
Release date:2011-11-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Covalent modification of reduced flavin mononucleotide in type-2 isopentenyl diphosphate isomerase by active-site-directed inhibitors.
Proc.Natl.Acad.Sci.USA, 108, 2011
5LU5
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BU of 5lu5 by Molmil
A quantum half-site enzyme
Descriptor: 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Vivoli, M, Harmer, N.J, Pang, J.
Deposit date:2016-09-08
Release date:2017-12-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
5LTZ
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BU of 5ltz by Molmil
GmhA_mutant Q175E
Descriptor: 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Vivoli, M, Harmer, N.J.
Deposit date:2016-09-07
Release date:2017-12-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
4P3H
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BU of 4p3h by Molmil
Crystal structure of Kaposi's sarcoma-associated herpesvirus (KSHV) protease in complex with dimer disruptor
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, KSHV protease, ...
Authors:Gable, J.E.
Deposit date:2014-03-07
Release date:2014-07-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Broad-spectrum allosteric inhibition of herpesvirus proteases.
Biochemistry, 53, 2014
5MF0
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BU of 5mf0 by Molmil
Crystal structure of Smad4-MH1 bound to the GGCCG site.
Descriptor: CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*GP*GP*CP*CP*GP*CP*GP*GP*CP*CP*CP*GP*T)-3'), MH1 domain of human Smad4, ...
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017

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