8PAY
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![BU of 8pay by Molmil](/molmil-images/mine/8pay) | Structure of the E.coli DNA polymerase sliding clamp with a covalently bound peptide 2. | Descriptor: | ACE-GLN-ALC-GLC-LEU-PHE, Beta sliding clamp, GLYCEROL, ... | Authors: | Compain, G, Monsarrat, C, Blagojevic, J, Brillet, K, Dumas, P, Hammann, P, Kuhn, L, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Burnouf, D, wagner, J, Guichard, G. | Deposit date: | 2023-06-08 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Peptide-Based Covalent Inhibitors Bearing Mild Electrophiles to Target a Conserved His Residue of the Bacterial Sliding Clamp. Jacs Au, 4, 2024
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5EQH
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![BU of 5eqh by Molmil](/molmil-images/mine/5eqh) | Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | Descriptor: | (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | Deposit date: | 2015-11-12 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
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7VO6
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![BU of 7vo6 by Molmil](/molmil-images/mine/7vo6) | |
5EQG
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![BU of 5eqg by Molmil](/molmil-images/mine/5eqg) | Human GLUT1 in complex with inhibitor (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | Descriptor: | (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | Deposit date: | 2015-11-12 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EK8
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![BU of 5ek8 by Molmil](/molmil-images/mine/5ek8) | Crystal structure of a 9R-lipoxygenase from Cyanothece PCC8801 at 2.7 Angstroms | Descriptor: | FE (II) ION, Lipoxygenase, SODIUM ION | Authors: | Feussner, I, Ficner, R, Neumann, P, Newie, J, Andreou, A, Einsle, O. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a lipoxygenase from Cyanothece sp. may reveal novel features for substrate acquisition. J.Lipid Res., 57, 2016
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5EQI
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![BU of 5eqi by Molmil](/molmil-images/mine/5eqi) | Human GLUT1 in complex with Cytochalasin B | Descriptor: | Cytochalasin B, Solute carrier family 2, facilitated glucose transporter member 1 | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | Deposit date: | 2015-11-12 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
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7VXW
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![BU of 7vxw by Molmil](/molmil-images/mine/7vxw) | |
7VY7
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![BU of 7vy7 by Molmil](/molmil-images/mine/7vy7) | |
7VXV
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![BU of 7vxv by Molmil](/molmil-images/mine/7vxv) | |
7VY4
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![BU of 7vy4 by Molmil](/molmil-images/mine/7vy4) | |
4BPF
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![BU of 4bpf by Molmil](/molmil-images/mine/4bpf) | |
4BPH
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![BU of 4bph by Molmil](/molmil-images/mine/4bph) | High resolution crystal structure of Bacillus subtilis DltC | Descriptor: | 4'-PHOSPHOPANTETHEINE, D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 2, MAGNESIUM ION | Authors: | Zimmermann, S, Neumann, P, Stubbs, M.T. | Deposit date: | 2013-05-26 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms FEBS Lett., 589, 2015
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4AXA
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![BU of 4axa by Molmil](/molmil-images/mine/4axa) | Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4- chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethan-1-ol | Descriptor: | (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | Authors: | Davies, T.G, Yap, T.A, Walton, M.I, Grimshaw, K.M, tePoele, R.H, Eve, P.D, Valenti, M.R, deHavenBrandon, A.K, Martins, V, Zetterlund, A, Heaton, S.P, Heinzmann, K, Jones, P.S, Feltell, R.E, Reule, M, Woodhead, S.J, Lyons, J.F, Raynaud, F.I, Eccles, S.A, Workman, P, Thompson, N.T, Garrett, M.D. | Deposit date: | 2012-06-12 | Release date: | 2012-07-25 | Last modified: | 2013-02-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | At13148 is a Novel, Oral Multi-Agc Kinase Inhibitor with Potent Pharmacodynamic and Antitumor Activity. Clin.Cancer Res., 18, 2012
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5O5Q
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![BU of 5o5q by Molmil](/molmil-images/mine/5o5q) | X-ray crystal structure of RapZ from Escherichia coli (P3221 space group) | Descriptor: | RNase adapter protein RapZ, SULFATE ION | Authors: | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | Deposit date: | 2017-06-02 | Release date: | 2017-08-30 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. Nucleic Acids Res., 45, 2017
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5O5S
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![BU of 5o5s by Molmil](/molmil-images/mine/5o5s) | X-ray crystal structure of the RapZ C-terminal domain from Escherichia coli | Descriptor: | MALONATE ION, RNase adapter protein RapZ | Authors: | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | Deposit date: | 2017-06-02 | Release date: | 2017-08-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. Nucleic Acids Res., 45, 2017
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5O5O
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![BU of 5o5o by Molmil](/molmil-images/mine/5o5o) | X-ray crystal structure of RapZ from Escherichia coli (P32 space group) | Descriptor: | RNase adapter protein RapZ, SULFATE ION | Authors: | Gonzalez, G.M, Durica-Mitic, S, Hardwick, S.W, Moncrieffe, M, Resch, M, Neumann, P, Ficner, R, Gorke, B, Luisi, B.F. | Deposit date: | 2017-06-02 | Release date: | 2017-08-30 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (3.404 Å) | Cite: | Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. Nucleic Acids Res., 45, 2017
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5OYH
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![BU of 5oyh by Molmil](/molmil-images/mine/5oyh) | crystal structure of the catalytic core of a rhodopsin-guanylyl cyclase with converted specificity in complex with ATPalphaS | Descriptor: | ADENOSINE-5'-SP-ALPHA-THIO-TRIPHOSPHATE, CALCIUM ION, GLYCEROL, ... | Authors: | Broser, M, Scheib, U, Hegemann, P. | Deposit date: | 2017-09-09 | Release date: | 2018-06-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Rhodopsin-cyclases for photocontrol of cGMP/cAMP and 2.3 angstrom structure of the adenylyl cyclase domain. Nat Commun, 9, 2018
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4BPG
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![BU of 4bpg by Molmil](/molmil-images/mine/4bpg) | Crystal structure of Bacillus subtilis DltC | Descriptor: | D-ALANINE--POLY(PHOSPHORIBITOL) LIGASE SUBUNIT 2 | Authors: | Yonus, H, Zimmermann, S, Neumann, P, Stubbs, M.T. | Deposit date: | 2013-05-26 | Release date: | 2014-06-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High-Resolution Structures of the D-Alanyl Carrier Protein (Dcp) Dltc from Bacillus Subtilis Reveal Equivalent Conformations of Apo- and Holo-Forms FEBS Lett., 589, 2015
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4C35
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![BU of 4c35 by Molmil](/molmil-images/mine/4c35) | PKA-S6K1 Chimera with compound 1 (NU1085) bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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4C33
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![BU of 4c33 by Molmil](/molmil-images/mine/4c33) | PKA-S6K1 Chimera Apo | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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8OFG
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![BU of 8ofg by Molmil](/molmil-images/mine/8ofg) | |
8OFH
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![BU of 8ofh by Molmil](/molmil-images/mine/8ofh) | |
8OFO
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![BU of 8ofo by Molmil](/molmil-images/mine/8ofo) | |
8OFJ
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4B1T
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![BU of 4b1t by Molmil](/molmil-images/mine/4b1t) | Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Menzel, A, Neumann, P, Stubbs, M.T. | Deposit date: | 2012-07-12 | Release date: | 2012-08-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Thermodynamic signatures in macromolecular interactions involving conformational flexibility. Biol.Chem., 395, 2014
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