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3VEO
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BU of 3veo by Molmil
Crystal structure of the O-carbamoyltransferase TobZ in complex with carbamoyl phosphate
Descriptor: 1,2-ETHANEDIOL, FE (II) ION, O-carbamoyltransferase TobZ, ...
Authors:Parthier, C, Stubbs, M.T, Goerlich, S, Jaenecke, F.
Deposit date:2012-01-09
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction.
Angew.Chem.Int.Ed.Engl., 51, 2012
3VG7
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BU of 3vg7 by Molmil
Structure of human LFABP at high resolution from S-SAD
Descriptor: Fatty acid-binding protein, liver, PALMITIC ACID
Authors:Sharma, A, Yogavel, M, Sharma, A.
Deposit date:2011-08-03
Release date:2012-08-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
6UHK
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BU of 6uhk by Molmil
Crystal Structure of C176 mGFP
Descriptor: C176 mGFP
Authors:Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A.
Deposit date:2019-09-27
Release date:2020-03-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
6RX2
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BU of 6rx2 by Molmil
Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide, CALCIUM ION, ...
Authors:Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-06-07
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
4DR9
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BU of 4dr9 by Molmil
Crystal structure of a peptide deformylase from synechococcus elongatus in complex with actinonin
Descriptor: ACTINONIN, BROMIDE ION, Peptide deformylase, ...
Authors:Lorimer, D, Abendroth, J, Craig, T, Burgin, A, Segall, A, Rohwler, F.
Deposit date:2012-02-17
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of a cyanophage-encoded peptide deformylase.
ISME J, 7, 2013
6S1X
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BU of 6s1x by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII)-E424M inactive mutant, in complex with a inhibitor KB1160
Descriptor: (2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Kutil, Z.
Deposit date:2019-06-19
Release date:2020-05-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen.
J.Med.Chem., 63, 2020
6S21
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BU of 6s21 by Molmil
Metabolism of multiple glycosaminoglycans by bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus (BT33494S-sulf)
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Endo-4-O-sulfatase
Authors:Ndeh, D, Basle, A, Strahl, H, Henrissat, B, Terrapon, N, Cartmell, A.
Deposit date:2019-06-19
Release date:2020-02-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Metabolism of multiple glycosaminoglycans by Bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus.
Nat Commun, 11, 2020
6UDF
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BU of 6udf by Molmil
Crystal structure of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium kansasii
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], FORMIC ACID
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-09-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal stucture of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium kansasii
to be published
6UN3
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BU of 6un3 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2019-10-10
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
6S2Y
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BU of 6s2y by Molmil
Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum with Chlorophyll-b
Descriptor: CHLOROPHYLL B, Water-soluble chlorophyll protein
Authors:Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E.
Deposit date:2019-06-23
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein.
Sci Rep, 9, 2019
6TWV
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BU of 6twv by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu) from an H10N7 seal influenza virus isolated in Germany with human receptor analogue, 6'SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Hemagglutinin HA1, ...
Authors:Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
Deposit date:2020-01-13
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6RJP
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BU of 6rjp by Molmil
Bfl-1 in complex with alpha helical peptide
Descriptor: Bcl-2-like protein 11, Bcl-2-related protein A1
Authors:Baggio, C, Gambini, L, Udompholkul, P, Salem, A.F, Hakansson, M, Jossart, J, Perry, J, Pellecchia, M.
Deposit date:2019-04-29
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:N-locking stabilization of covalent helical peptides: Application to Bfl-1 antagonists.
Chem.Biol.Drug Des., 95, 2020
6OGE
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BU of 6oge by Molmil
Cryo-EM structure of Her2 extracellular domain-Trastuzumab Fab-Pertuzumab Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab FAB HEAVY CHAIN, Pertuzumab FAB LIGHT CHAIN, ...
Authors:Hao, Y, Yu, X, Bai, Y, Huang, X.
Deposit date:2019-04-02
Release date:2019-05-15
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:Cryo-EM Structure of HER2-trastuzumab-pertuzumab complex.
Plos One, 14, 2019
4LD6
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BU of 4ld6 by Molmil
PWWP domain of human PWWP Domain-Containing Protein 2B
Descriptor: GLYCEROL, PWWP domain-containing protein 2B, UNKNOWN ATOM OR ION
Authors:Dong, A, Dombrovski, L, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2013-06-24
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of PWWP domain of human PWWP Domain-Containing Protein 2B
To be Published
6RP9
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BU of 6rp9 by Molmil
Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV
Descriptor: Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ...
Authors:Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
Deposit date:2019-05-14
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
6UHR
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BU of 6uhr by Molmil
Crystal Structure of C148 mGFP-scDNA-2
Descriptor: C148 mGFP-scDNA-2
Authors:Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A.
Deposit date:2019-09-27
Release date:2020-03-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
6ONR
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BU of 6onr by Molmil
Dehaloperoxidase B in complex with substrate 4-methyl-cresol
Descriptor: 1,2-ETHANEDIOL, 2,4-dimethylphenol, DI(HYDROXYETHYL)ETHER, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6OO6
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BU of 6oo6 by Molmil
Dehaloperoxidase B in complex with substrate p-cresol
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase B, P-CRESOL, ...
Authors:Ghiladi, R.A, de Serrano, V.S, Malewschik, T.
Deposit date:2019-04-22
Release date:2019-09-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
6UKL
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BU of 6ukl by Molmil
Crystal Structure of a DiB2-split Protein
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Outer membrane lipoprotein Blc, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Bozhanova, N.G, Meiler, J.
Deposit date:2019-10-05
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:DiB-splits: nature-guided design of a novel fluorescent labeling split system.
Sci Rep, 10, 2020
3VDH
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BU of 3vdh by Molmil
Crystal structure of PbGH5A, a glycoside hydrolase family 5 enzyme from Prevotella bryantii B14
Descriptor: B-1,4-endoglucanase, CHLORIDE ION
Authors:Stogios, P.J, Evdokimova, E, Egorova, O, Yim, V, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-01-05
Release date:2012-01-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Function Analysis of a Mixed-linkage beta-Glucanase/Xyloglucanase from the Key Ruminal Bacteroidetes Prevotella bryantii B14.
J.Biol.Chem., 291, 2016
6RIJ
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BU of 6rij by Molmil
CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436
Descriptor: 4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Skerlova, J, Rezacova, P, Brynda, J.
Deposit date:2019-04-24
Release date:2020-07-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CDK2/cyclin A2 in complex with open-ring 5-nitrosopyrimidine inhibitor LC436
To Be Published
6UN1
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BU of 6un1 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin
Descriptor: (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
Authors:Sacco, M, Chen, Y.
Deposit date:2019-10-10
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
6O8G
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BU of 6o8g by Molmil
Crystal structure of UvrB bound to fully duplex DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*CP*GP*AP*TP*GP*GP*AP*GP*A)-3'), ...
Authors:Lee, S.-J, Sung, R.-J, Verdine, G.L.
Deposit date:2019-03-10
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Mechanism of DNA Lesion Homing and Recognition by the Uvr Nucleotide Excision Repair System.
Res, 2019, 2019
6TVF
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BU of 6tvf by Molmil
Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue, 6'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
Deposit date:2020-01-09
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6RFZ
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BU of 6rfz by Molmil
Photorhabdus laumondii lectin PLL2 in complex with D-glucose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
Authors:Houser, J, Fujdiarova, E, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021

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