4WMU
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![BU of 4wmu by Molmil](/molmil-images/mine/4wmu) | STRUCTURE OF MBP-MCL1 BOUND TO ligand 2 AT 1.55A | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, FORMIC ACID, ... | Authors: | Clifton, M.C, Faiman, J.W. | Deposit date: | 2014-10-09 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
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5O7V
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4X9B
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![BU of 4x9b by Molmil](/molmil-images/mine/4x9b) | Crystal structure of Dscam1 isoform 4.44, N-terminal four Ig domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Down syndrome cell adhesion molecule, isoform 4.44, ... | Authors: | Chen, Q, Yu, Y, Li, S.A, Cheng, L. | Deposit date: | 2014-12-11 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition Sci Adv, 2, 2016
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6Z31
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6ZJT
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![BU of 6zjt by Molmil](/molmil-images/mine/6zjt) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactulose | Descriptor: | ACETATE ION, Beta-galactosidase, SODIUM ION, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2020-06-29 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 21, 2020
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5OCA
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![BU of 5oca by Molmil](/molmil-images/mine/5oca) | PCSK9:Fab Complex with Dextran Sulfate | Descriptor: | 2,3,4-tri-O-sulfo-beta-D-altropyranose-(1-6)-2,3-di-O-sulfo-alpha-L-glucopyranose, Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, ... | Authors: | Thirup, S.S, Vilstrup, J.P. | Deposit date: | 2017-06-30 | Release date: | 2017-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Heparan sulfate proteoglycans present PCSK9 to the LDL receptor. Nat Commun, 8, 2017
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6Z5H
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![BU of 6z5h by Molmil](/molmil-images/mine/6z5h) | Crystal structure of Aeromonas exotoxin A | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Exotoxin, ... | Authors: | Masuyer, G. | Deposit date: | 2020-05-26 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Exotoxin A from Aeromonas Pathogenic Species. Toxins, 12, 2020
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8ALM
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![BU of 8alm by Molmil](/molmil-images/mine/8alm) | |
8AHY
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![BU of 8ahy by Molmil](/molmil-images/mine/8ahy) | |
8ALH
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6PYD
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![BU of 6pyd by Molmil](/molmil-images/mine/6pyd) | Structure of 3E9 antibody Fab bound to marinobufagenin | Descriptor: | (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, 3E9 anti-marinobufagenin antibody Fab heavy chain, recloned with human IgG4 C region, ... | Authors: | Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J. | Deposit date: | 2019-07-29 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties. Proc.Natl.Acad.Sci.USA, 117, 2020
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4YEL
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![BU of 4yel by Molmil](/molmil-images/mine/4yel) | Tailspike protein double mutant D339A/E372A of E. coli bacteriophage HK620 in complex with hexasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2015-02-24 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein. to be published
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6C6C
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![BU of 6c6c by Molmil](/molmil-images/mine/6c6c) | Structure of glycolipid aGSA[20,6P] in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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8AWR
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![BU of 8awr by Molmil](/molmil-images/mine/8awr) | Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl chloride | Descriptor: | (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol, (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2022-08-30 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases To be published
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8AWK
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![BU of 8awk by Molmil](/molmil-images/mine/8awk) | Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride | Descriptor: | (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Davies, G.J. | Deposit date: | 2022-08-30 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases To be published
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6ZK0
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![BU of 6zk0 by Molmil](/molmil-images/mine/6zk0) | 1.47A human IMPase with ebselen | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ... | Authors: | Bax, B.D, Fenn, G.D. | Deposit date: | 2020-06-29 | Release date: | 2020-09-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallization and structure of ebselen bound to Cys141 of human inositol monophosphatase. Acta Crystallogr.,Sect.F, 76, 2020
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8BPJ
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![BU of 8bpj by Molmil](/molmil-images/mine/8bpj) | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 1) | Descriptor: | 9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, Lysozyme, NITRATE ION, ... | Authors: | Teran, A, Merlino, A, Ferraro, G. | Deposit date: | 2023-01-17 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies. Inorg.Chem., 62, 2023
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8BPU
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![BU of 8bpu by Molmil](/molmil-images/mine/8bpu) | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 2) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 9,11-bis(4-fluorophenyl)-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, Lysozyme, ... | Authors: | Teran, A, Merlino, A, Ferraro, G. | Deposit date: | 2022-11-17 | Release date: | 2023-06-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies. Inorg.Chem., 62, 2023
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8BQM
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![BU of 8bqm by Molmil](/molmil-images/mine/8bqm) | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-FPhF)(O2CCH3)3] (Structure 4) | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme, ... | Authors: | Teran, A, Merlino, A, Ferraro, G. | Deposit date: | 2022-11-21 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Effect of Equatorial Ligand Substitution on the Reactivity with Proteins of Paddlewheel Diruthenium Complexes: Structural Studies. Inorg.Chem., 62, 2023
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8BFD
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![BU of 8bfd by Molmil](/molmil-images/mine/8bfd) | Racemic structure of PK-7 (310HD-U2U5) | Descriptor: | 310HD-U2U5, D-310HD-U2U5, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kumar, P, Paterson, N.G, Woolfson, D.N. | Deposit date: | 2022-10-25 | Release date: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | De novo design of discrete, stable 3 10 -helix peptide assemblies. Nature, 607, 2022
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6ZJR
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![BU of 6zjr by Molmil](/molmil-images/mine/6zjr) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E517Q in complex with lactulose | Descriptor: | ACETATE ION, Beta-galactosidase, MALONATE ION, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2020-06-29 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 21, 2020
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6PX5
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![BU of 6px5 by Molmil](/molmil-images/mine/6px5) | CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Prothrombin, ... | Authors: | Pelc, L.A, Koester, S.K, Chen, Z, Gistover, N, Di Cera, E. | Deposit date: | 2019-07-24 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin. Sci Rep, 9, 2019
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6ZJS
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![BU of 6zjs by Molmil](/molmil-images/mine/6zjs) | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with galactose | Descriptor: | (2S)-2-hydroxybutanedioic acid, ACETATE ION, Beta-galactosidase, ... | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | Deposit date: | 2020-06-29 | Release date: | 2020-08-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB. Int J Mol Sci, 21, 2020
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6CXA
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5PPR
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![BU of 5ppr by Molmil](/molmil-images/mine/5ppr) | PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 28) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-07 | Release date: | 2017-03-29 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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