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6WYH
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BU of 6wyh by Molmil
Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Bailey, J.B, Zhang, L.
Deposit date:2020-05-12
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks.
J.Am.Chem.Soc., 142, 2020
2WEF
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BU of 2wef by Molmil
Human 3'(2'), 5'-bisphosphate nucleotidase 1 (BPNT1) in complex with AMP, PO4 and Magnesium
Descriptor: 3'(2'), 5'-BISPHOSPHATE NUCLEOTIDASE 1, ADENOSINE MONOPHOSPHATE, ...
Authors:Moche, M, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-03-30
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human 3'(2'), 5'-Bisphosphate Nucleotidase 1 (Bpnt1) in Complex with AMP, Po4 and Magnesium
To be Published
6WZ3
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BU of 6wz3 by Molmil
Cu-bound structure of the engineered protein trimer, TriCyt3
Descriptor: CHLORIDE ION, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Tezcan, F.A, Kakkis, A.
Deposit date:2020-05-13
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal-Templated Design of Chemically Switchable Protein Assemblies with High-Affinity Coordination Sites.
Angew.Chem.Int.Ed.Engl., 59, 2020
4PPG
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BU of 4ppg by Molmil
Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-BR
Descriptor: CITRATE ANION, Protein RecA, 1st part, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-02-27
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
2WDQ
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BU of 2wdq by Molmil
E. coli succinate:quinone oxidoreductase (SQR) with carboxin bound
Descriptor: 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
Deposit date:2009-03-25
Release date:2009-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Escherichia coli succinate:quinone oxidoreductase with an occupied and empty quinone-binding site.
J. Biol. Chem., 284, 2009
4Y2R
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BU of 4y2r by Molmil
Structure of soluble epoxide hydrolase in complex with 2-(piperazin-1-yl)nicotinonitrile
Descriptor: 2-(piperazin-1-yl)pyridine-3-carbonitrile, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y37
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BU of 4y37 by Molmil
Endothiapepsin in complex with fragement 305
Descriptor: 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, ACETATE ION, Endothiapepsin, ...
Authors:Krimmer, S.G, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
1Q3T
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BU of 1q3t by Molmil
Solution structure and function of an essential CMP kinase of Streptococcus pneumoniae
Descriptor: Cytidylate kinase
Authors:Yu, L, Mack, J, Hajduk, P.J, Kakavas, S.J, Saiki, A.Y, Lerner, C.G, Olejniczak, E.T.
Deposit date:2003-07-31
Release date:2004-08-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and function of an essential CMP kinase of Streptococcus pneumoniae
Protein Sci., 12, 2003
5EKA
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BU of 5eka by Molmil
HU DNA-binding protein from Thermus thermophilus
Descriptor: DNA-binding protein HU, GLYCEROL
Authors:Papageorgiou, A, Adam, P, Stavros, P, Nounesis, G, Meijers, R, Petratos, K, Vorgias, C.E.
Deposit date:2015-11-03
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:HU histone-like DNA-binding protein from Thermus thermophilus: structural and evolutionary analyses.
Extremophiles, 20, 2016
4PPQ
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BU of 4ppq by Molmil
Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-CR
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-02-27
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PQL
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BU of 4pql by Molmil
N-Terminal domain of DNA binding protein
Descriptor: 1,2-ETHANEDIOL, Truncated replication protein RepA
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N.K.
Deposit date:2014-03-03
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.444 Å)
Cite:Mechanism of staphylococcal multiresistance plasmid replication origin assembly by the RepA protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
2N7B
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BU of 2n7b by Molmil
Solution structure of the human Siglec-8 lectin domain in complex with 6'sulfo sialyl Lewisx
Descriptor: 3-aminopropan-1-ol, N-acetyl-alpha-neuraminic acid-(2-3)-6-O-sulfo-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose, Sialic acid-binding Ig-like lectin 8
Authors:Proepster, J.M, Yang, F, Rabbani, S, Ernst, B, Allain, F.H.-T, Schubert, M.
Deposit date:2015-09-07
Release date:2016-07-06
Last modified:2020-07-29
Method:SOLUTION NMR
Cite:Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8.
Proc.Natl.Acad.Sci.USA, 113, 2016
2ZWD
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BU of 2zwd by Molmil
Crystal structure of the copper-bound tyrosinase in complex with a caddie protein from streptomyces castaneoglobisporus obtained by soaking the deoxy-form crystal in dioxygen-saturated solution for 5 minutes
Descriptor: COPPER (I) ION, MelC, NITRATE ION, ...
Authors:Matoba, Y, Sugiyama, M.
Deposit date:2008-12-03
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystallographic evidence of drastic movement of a copper ion toward the substrate tyrosine for starting hydroxylation reaction of tyrosinase
To be Published
5ELL
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BU of 5ell by Molmil
Crystal structure of L-aspartate/glutamate-specific racemase from Escherichia coli
Descriptor: Asp/Glu_racemase family protein
Authors:Ahn, J.W, Chang, J.H, Kim, K.J.
Deposit date:2015-11-04
Release date:2015-11-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural basis for an atypical active site of an l-aspartate/glutamate-specific racemase from Escherichia coli
Febs Lett., 589, 2015
7OBN
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BU of 7obn by Molmil
Structural investigations of a new L3 DNA ligase: structure-function analysis
Descriptor: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), DNA ligase, ...
Authors:Leiros, H.-K.S, Williamson, A.
Deposit date:2021-04-23
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Bacteriophage origin of some minimal ATP-dependent DNA ligases: a new structure from Burkholderia pseudomallei with striking similarity to Chlorella virus ligase.
Sci Rep, 11, 2021
4XM0
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BU of 4xm0 by Molmil
N,N'-diacetylchitobiose deacetylase (SeMet derivative) from Pyrococcus furiosus in the absence of cadmium
Descriptor: Uncharacterized protein, ZINC ION
Authors:Nakamura, T, Niiyama, M, Hashimoto, W, Ida, K, Uegaki, K.
Deposit date:2015-01-14
Release date:2015-06-10
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Multiple crystal forms of N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus.
Acta Crystallogr.,Sect.F, 71, 2015
6X2I
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BU of 6x2i by Molmil
The Cutavirus (CuV) capsid structure
Descriptor: VP2
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Structural Characterization of Cuta- and Tusavirus: Insight into Protoparvoviruses Capsid Morphology.
Viruses, 12, 2020
4PQY
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BU of 4pqy by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-N4
Descriptor: GLYCEROL, Protein RecA, 1st part, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-03-05
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
2ZG0
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BU of 2zg0 by Molmil
Exploring thrombin S3 pocket
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide, Hirudin, SODIUM ION, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-01-16
Release date:2009-01-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring thrombin S3 pocket
To be Published
2MZP
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BU of 2mzp by Molmil
Structure and dynamics of the acidosis-resistant a162H mutant of the switch region of troponin I bound to the regulatory domain of troponin C
Descriptor: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
Authors:Pineda Sanabria, S.E, Robertson, I.M, Sykes, B.D.
Deposit date:2015-02-20
Release date:2015-06-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Dynamics of the Acidosis-Resistant A162H Mutant of the Switch Region of Troponin I Bound to the Regulatory Domain of Troponin C.
Biochemistry, 54, 2015
5ELY
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BU of 5ely by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a hydroxamate inhibitor JHU242
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{R})-2-carboxy-5-(oxidanylamino)-5-oxidanylidene-pentyl]benzoic acid, ...
Authors:Barinka, C, Novakova, Z, Pavlicek, J.
Deposit date:2015-11-05
Release date:2016-04-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity.
J.Med.Chem., 59, 2016
2VUV
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BU of 2vuv by Molmil
Crystal structure of Codakine at 1.3A resolution
Descriptor: CALCIUM ION, CITRIC ACID, CODAKINE, ...
Authors:Gourdine, J.P, Cioci, G.C, Miguet, L, Unverzagt, C, Varrot, A, Gauthier, C, Smith-Ravin, E.J, Imberty, A.
Deposit date:2008-05-30
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High Affinity Interaction between a Bivalve C-Type Lectin and a Biantennary Complex-Type N-Glycan Revealed by Crystallography and Microcalorimetry.
J.Biol.Chem., 283, 2008
1Q5I
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BU of 1q5i by Molmil
Crystal structure of bacteriorhodopsin mutant P186A crystallized from bicelles
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Yohannan, S, Faham, S, Yang, D, Whitelegge, J.P, Bowie, J.U.
Deposit date:2003-08-07
Release date:2004-01-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The evolution of transmembrane helix kinks and the structural diversity of G protein-coupled receptors.
Proc.Natl.Acad.Sci.USA, 101, 2004
2N87
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BU of 2n87 by Molmil
Solution structure of the PPIase domain of TbPar42
Descriptor: Uncharacterized protein
Authors:Rehic, E, Bayer, P.
Deposit date:2015-10-05
Release date:2016-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Analysis of the 42 kDa Parvulin of Trypanosoma brucei.
Biomolecules, 9, 2019
6WW2
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BU of 6ww2 by Molmil
Structure of human Frizzled5 by fiducial-assisted cryo-EM
Descriptor: Frizzled-5,Soluble cytochrome b562, anti-BRIL Fab Heavy chain, anti-BRIL Fab Light chain, ...
Authors:Tsutsumi, N, Jude, K.M, Gati, C, Garcia, K.C.
Deposit date:2020-05-07
Release date:2020-08-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of human Frizzled5 by fiducial-assisted cryo-EM supports a heterodimeric mechanism of canonical Wnt signaling.
Elife, 9, 2020

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數據於2024-10-16公開中

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