7C66
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![BU of 7c66 by Molmil](/molmil-images/mine/7c66) | Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to cellobiose | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7C6L
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![BU of 7c6l by Molmil](/molmil-images/mine/7c6l) | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form II) | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7C6H
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![BU of 7c6h by Molmil](/molmil-images/mine/7c6h) | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in an open-liganded state bound to laminaribiose | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-10-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7C6Z
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![BU of 7c6z by Molmil](/molmil-images/mine/7c6z) | Crystal structure of beta-glycosides-binding protein (W67A) of ABC transporter in an open state | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-22 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7C6N
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![BU of 7c6n by Molmil](/molmil-images/mine/7c6n) | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotetraose (Form II) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFITE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7C6R
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![BU of 7c6r by Molmil](/molmil-images/mine/7c6r) | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellopentaose | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-22 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7C68
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![BU of 7c68 by Molmil](/molmil-images/mine/7c68) | Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to cellotetraose | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7C69
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![BU of 7c69 by Molmil](/molmil-images/mine/7c69) | Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to sophorose | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Sugar ABC transporter, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-21 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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7C6V
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![BU of 7c6v by Molmil](/molmil-images/mine/7c6v) | Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to laminaritriose (Form II) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-22 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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2MTZ
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![BU of 2mtz by Molmil](/molmil-images/mine/2mtz) | Haddock model of Bacillus subtilis L,D-transpeptidase in complex with a peptidoglycan hexamuropeptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid, Putative L,D-transpeptidase YkuD, intact bacterial peptidoglycan | Authors: | Schanda, P, Triboulet, S, Laguri, C, Bougault, C, Ayala, I, Callon, M, Arthur, M, Simorre, J. | Deposit date: | 2014-09-02 | Release date: | 2015-01-14 | Last modified: | 2023-11-15 | Method: | SOLID-STATE NMR | Cite: | Atomic model of a cell-wall cross-linking enzyme in complex with an intact bacterial peptidoglycan. J.Am.Chem.Soc., 136, 2014
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6S2H
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![BU of 6s2h by Molmil](/molmil-images/mine/6s2h) | |
6S48
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![BU of 6s48 by Molmil](/molmil-images/mine/6s48) | AvaII RESTRICTION ENDONUCLEASE IN COMPLEX WITH PARTIALLY CLEAVED dsDNA | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, DNA (5'-D(*GP*AP*TP*G)-3'), ... | Authors: | Kisiala, M, Kowalska, M, Korza, H, Czapinska, H, Bochtler, M. | Deposit date: | 2019-06-26 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Restriction endonucleases that cleave RNA/DNA heteroduplexes bind dsDNA in A-like conformation. Nucleic Acids Res., 48, 2020
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2N3O
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![BU of 2n3o by Molmil](/molmil-images/mine/2n3o) | Structure of PTB RRM1(41-163) bound to an RNA stemloop containing a structured loop derived from viral internal ribosomal entry site RNA | Descriptor: | Polypyrimidine tract-binding protein 1, RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3') | Authors: | Maris, C, Jayne, S.F, Damberger, F.F, Ravindranathan, S, Allain, F.H.-T. | Deposit date: | 2015-06-08 | Release date: | 2016-08-10 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | C-terminal helix folding upon pyrimidine-rich hairpin binding to PTB RRM1. Implications for PTB function in Encephalomyocarditis virus IRES activity. To be Published
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7C88
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![BU of 7c88 by Molmil](/molmil-images/mine/7c88) | Complex structure of JS003 and PD-L1 | Descriptor: | JS003 Heavy chain, JS003 Light chain, Programmed cell death 1 ligand 1 | Authors: | Bi, X, Shi, R, Chai, Y, Qi, J, Yan, J, Tan, S. | Deposit date: | 2020-05-29 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Identification of a hotspot on PD-L1 for pH-dependent binding by monoclonal antibodies for tumor therapy. Signal Transduct Target Ther, 5, 2020
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6RPG
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![BU of 6rpg by Molmil](/molmil-images/mine/6rpg) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide | Authors: | Magiera-Mularz, K, Basu, S, Yang, J, Xu, B, Skalniak, L, Musielak, B, Kholodovych, V, Holak, T.A, Hu, L. | Deposit date: | 2019-05-14 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, Evaluation, and Structural Studies ofC2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction. J.Med.Chem., 62, 2019
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6S3Z
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![BU of 6s3z by Molmil](/molmil-images/mine/6s3z) | Structure Of D80A-Fructofuranosidase From Xanthophyllomyces Dendrorhous Complexed With Fructose And hydroquinone | Descriptor: | 1,2-ETHANEDIOL, 1,4-benzoquinone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ramirez-Escudero, M, Sanz-Aparicio, J. | Deposit date: | 2019-06-26 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Deciphering the molecular specificity of phenolic compounds as inhibitors or glycosyl acceptors of beta-fructofuranosidase from Xanthophyllomyces dendrorhous. Sci Rep, 9, 2019
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4XZR
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![BU of 4xzr by Molmil](/molmil-images/mine/4xzr) | |
4DDT
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![BU of 4ddt by Molmil](/molmil-images/mine/4ddt) | Thermotoga maritima reverse gyrase, C2 FORM 2 | Descriptor: | Reverse gyrase, ZINC ION | Authors: | Rudolph, M.G, Klostermeier, D. | Deposit date: | 2012-01-19 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of Thermotoga maritima reverse gyrase: inferences for the mechanism of positive DNA supercoiling. Nucleic Acids Res., 41, 2013
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2MOV
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![BU of 2mov by Molmil](/molmil-images/mine/2mov) | Receptor for Advanced Glycation End Products (RAGE) Specifically Recognizes Methylglyoxal Derived AGEs. | Descriptor: | Advanced glycosylation end product-specific receptor, N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine | Authors: | Shekhtman, A, Xue, J, Ray, R, Singer, D, Bohme, D, Burz, D.S, Rai, V, Hoffman, R. | Deposit date: | 2014-05-05 | Release date: | 2014-06-25 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Receptor for Advanced Glycation End Products (RAGE) Specifically Recognizes Methylglyoxal-Derived AGEs. Biochemistry, 53, 2014
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4E6X
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![BU of 4e6x by Molmil](/molmil-images/mine/4e6x) | ClbP in complex boron-based inhibitor | Descriptor: | ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, ClbP peptidase, PHOSPHATE ION | Authors: | Cougnoux, A, Delmas, J, Bonnet, R. | Deposit date: | 2012-03-16 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | The NRP peptidase ClbP as a target for the inhibition
of genotoxicity, cell proliferation and tumorogenesis
mediated by pks-harboring bacteria To be Published
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6SKE
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![BU of 6ske by Molmil](/molmil-images/mine/6ske) | Teneurin 2 in complex with Latrophilin 2 Lec domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor L2, ... | Authors: | Shahin, M, Jackson, V.A, Carrasquero, M, Lowe, E, Seiradake, E. | Deposit date: | 2019-08-15 | Release date: | 2020-02-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.62 Å) | Cite: | Structural Basis of Teneurin-Latrophilin Interaction in Repulsive Guidance of Migrating Neurons. Cell, 180, 2020
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4WI4
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![BU of 4wi4 by Molmil](/molmil-images/mine/4wi4) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation S254A | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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4WI9
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![BU of 4wi9 by Molmil](/molmil-images/mine/4wi9) | Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A/H310A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, ... | Authors: | Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A. | Deposit date: | 2014-09-25 | Release date: | 2015-09-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published
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6SRU
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![BU of 6sru by Molmil](/molmil-images/mine/6sru) | Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1) | Descriptor: | Programmed cell death 1 ligand 1 | Authors: | Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A. | Deposit date: | 2019-09-06 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.532 Å) | Cite: | Human and mouse PD-L1: similar molecular structure, but different druggability profiles. Iscience, 24, 2021
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2OR9
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![BU of 2or9 by Molmil](/molmil-images/mine/2or9) | |