6XFO
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6OJR
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![BU of 6ojr by Molmil](/molmil-images/mine/6ojr) | Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA | Descriptor: | GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, MAGNESIUM ION | Authors: | Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D. | Deposit date: | 2019-04-12 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase. J.Biol.Chem., 294, 2019
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6OLT
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![BU of 6olt by Molmil](/molmil-images/mine/6olt) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-17 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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6OOX
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6O56
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![BU of 6o56 by Molmil](/molmil-images/mine/6o56) | HNH Nuclease from S. pyogenes Cas9 | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1 | Authors: | Newton, J.C, Lisi, G.P, Jogl, G. | Deposit date: | 2019-03-01 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics. J.Am.Chem.Soc., 142, 2020
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4M56
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![BU of 4m56 by Molmil](/molmil-images/mine/4m56) | The Structure of Wild-type MalL from Bacillus subtilis | Descriptor: | D-glucose, GLYCEROL, Oligo-1,6-glucosidase 1, ... | Authors: | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | Deposit date: | 2013-08-08 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
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6I8L
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![BU of 6i8l by Molmil](/molmil-images/mine/6i8l) | Crystal structure of Spindlin1 in complex with the inhibitor TD001851a | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine, ... | Authors: | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-20 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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7Q4R
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![BU of 7q4r by Molmil](/molmil-images/mine/7q4r) | Crystal structure of human HSP72-NBD in complex with fragment 1 | Descriptor: | 4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide, Heat shock 70 kDa protein 1A, MAGNESIUM ION, ... | Authors: | Le Bihan, Y.V, Westwood, I.M, van Montfort, R.L.M. | Deposit date: | 2021-11-02 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and Characterization of a Cryptic Secondary Binding Site in the Molecular Chaperone HSP70. Molecules, 27, 2022
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6OFY
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![BU of 6ofy by Molmil](/molmil-images/mine/6ofy) | Crystal Structure of Arachidonic Acid bound to V349I murine COX-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ARACHIDONIC ACID, ... | Authors: | Malkowski, M.G. | Deposit date: | 2019-04-01 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Arg-513 and Leu-531 Are Key Residues Governing Time-Dependent Inhibition of Cyclooxygenase-2 by Aspirin and Celebrex. Biochemistry, 58, 2019
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6I8B
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![BU of 6i8b by Molmil](/molmil-images/mine/6i8b) | Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn | Descriptor: | 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone, DIMETHYL SULFOXIDE, GLYCINE, ... | Authors: | Johansson, C, Fagan, V, Brennan, P.E, Sorrell, F.J, Krojer, T, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2018-11-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function. J.Med.Chem., 62, 2019
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6I98
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4LZS
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![BU of 4lzs by Molmil](/molmil-images/mine/4lzs) | Crystal Structure of BRD4(1) bound to inhibitor XD46 | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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7PR5
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![BU of 7pr5 by Molmil](/molmil-images/mine/7pr5) | Cocrystal of an RSL-N23H and sulfonato-thiacalix[4]arene - zinc complex | Descriptor: | Fucose-binding lectin protein, GLYCEROL, ZINC ION, ... | Authors: | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | Deposit date: | 2021-09-20 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Protein Frameworks with Thiacalixarene and Zinc. Cryst.Growth Des., 22, 2022
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6O5J
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![BU of 6o5j by Molmil](/molmil-images/mine/6o5j) | Crystal Structure of DAD2 bound to quinazolinone derivative | Descriptor: | 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hamiaux, C. | Deposit date: | 2019-03-03 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Chemical synthesis and characterization of a new quinazolinedione competitive antagonist for strigolactone receptors with an unexpected binding mode. Biochem.J., 476, 2019
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6MDV
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![BU of 6mdv by Molmil](/molmil-images/mine/6mdv) | Crystal structure of Streptococcus pyogenes endo-beta-N-acetylglucosaminidase (EndoS2) with high-mannose glycan | Descriptor: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Klontz, E.H, Trastoy, B, Orwenyo, J, Wang, L.X, Guerin, M.E, Sundberg, E.J. | Deposit date: | 2018-09-05 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Basis of Broad SpectrumN-Glycan Specificity and Processing of Therapeutic IgG Monoclonal Antibodies by Endoglycosidase S2. ACS Cent Sci, 5, 2019
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6OKF
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![BU of 6okf by Molmil](/molmil-images/mine/6okf) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-12 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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6OS3
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![BU of 6os3 by Molmil](/molmil-images/mine/6os3) | Crystal structure of native CymD prenyltransferase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CymD prenyltransferase | Authors: | Roose, B.W, Christianson, D.W. | Deposit date: | 2019-05-01 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD. Biochemistry, 58, 2019
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7PK5
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4LBW
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![BU of 4lbw by Molmil](/molmil-images/mine/4lbw) | Identifying ligand binding hot spots in proteins using brominated fragments | Descriptor: | AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ... | Authors: | Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P. | Deposit date: | 2013-06-21 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.741 Å) | Cite: | Identifying ligand-binding hot spots in proteins using brominated fragments. Acta Crystallogr.,Sect.F, 69, 2013
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6P4B
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![BU of 6p4b by Molmil](/molmil-images/mine/6p4b) | HyHEL10 fab variant HyHEL10-4x (heavy chain mutations L4F, Y33H, S56N, and Y58F) bound to hen egg lysozyme variant HEL2x-flex (mutations R21Q, R73E, C76S, and C94S) | Descriptor: | CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2019-05-27 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6P4C
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![BU of 6p4c by Molmil](/molmil-images/mine/6p4c) | HyHEL10 Fab carrying four heavy chain mutations (HyHEL10-4x): L4F, Y33H, S56N, and Y58F | Descriptor: | CHLORIDE ION, HyHEL10 Fab heavy chain, HyHEL10 Fab light chain | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2019-05-27 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conformational diversity facilitates antibody mutation trajectories and discrimination between foreign and self-antigens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6MHR
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![BU of 6mhr by Molmil](/molmil-images/mine/6mhr) | Structure of the human 4-1BB / Urelumab Fab complex | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ... | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | Deposit date: | 2018-09-18 | Release date: | 2018-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab. Nat Commun, 9, 2018
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6MI2
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![BU of 6mi2 by Molmil](/molmil-images/mine/6mi2) | Structure of the human 4-1BB / Utomilumab Fab complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | Deposit date: | 2018-09-19 | Release date: | 2018-11-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab. Nat Commun, 9, 2018
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6MKD
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![BU of 6mkd by Molmil](/molmil-images/mine/6mkd) | 4699 TCR bound to I-Ab Padi4 | Descriptor: | 4699 TCR alpha chain, 4699 TCR beta chain, H-2 class II histocompatibility antigen, ... | Authors: | Stadinski, B.D, Blevins, S.J, Huseby, E.S. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development. Nat.Immunol., 20, 2019
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6MNO
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![BU of 6mno by Molmil](/molmil-images/mine/6mno) | 6235 TCR bound to I-Ab Padi4 | Descriptor: | 6235 TCR alpha chain, 6235 TCR beta chain, H-2 class II histocompatibility antigen, ... | Authors: | Stadinski, B.D, Blevins, S.J, Huseby, E.S. | Deposit date: | 2018-10-02 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development. Nat.Immunol., 20, 2019
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