7PQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pql by Molmil](/molmil-images/mine/7pql) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
|
|
5ZXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zxv by Molmil](/molmil-images/mine/5zxv) | |
2J38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j38 by Molmil](/molmil-images/mine/2j38) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | Deposit date: | 2006-08-18 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2J34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2j34 by Molmil](/molmil-images/mine/2j34) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | Deposit date: | 2006-08-18 | Release date: | 2006-09-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
|
|
3S7L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s7l by Molmil](/molmil-images/mine/3s7l) | |
8DAM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dam by Molmil](/molmil-images/mine/8dam) | nbF3:nbE8:CaV beta subunit 1b complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nanobody E8, SULFATE ION, ... | Authors: | Nirwan, N, Minor, D.L. | Deposit date: | 2022-06-13 | Release date: | 2022-12-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective posttranslational inhibition of Ca V beta 1 -associated voltage-dependent calcium channels with a functionalized nanobody. Nat Commun, 13, 2022
|
|
8E0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e0e by Molmil](/molmil-images/mine/8e0e) | nbF3:CaV beta subunit 2a complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Nirwan, N, Minor, D.L. | Deposit date: | 2022-08-09 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective posttranslational inhibition of Ca V beta 1 -associated voltage-dependent calcium channels with a functionalized nanobody. Nat Commun, 13, 2022
|
|
4ZMD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zmd by Molmil](/molmil-images/mine/4zmd) | C domain of staphylococcal protein A mutant - Q9W | Descriptor: | Immunoglobulin G-binding protein A | Authors: | Deis, L.N, Oas, T.G. | Deposit date: | 2015-05-03 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Suppression of conformational heterogeneity at a protein-protein interface. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4ZNC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4znc by Molmil](/molmil-images/mine/4znc) | |
3S7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s7m by Molmil](/molmil-images/mine/3s7m) | |
1MPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mpa by Molmil](/molmil-images/mine/1mpa) | BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS | Descriptor: | CADMIUM ION, MN12H2 IGG2A-KAPPA, PORA P1.16 PEPTIDE FLUORESCEIN CONJUGATE | Authors: | Van Den Elsen, J.M.H, Herron, J.N, Kroon, J, Gros, P. | Deposit date: | 1997-02-26 | Release date: | 1997-09-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide. Proteins, 29, 1997
|
|
4ALW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4alw by Molmil](/molmil-images/mine/4alw) | Benzofuropyrimidinone Inhibitors of Pim-1 | Descriptor: | 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE | Authors: | Stout, T.J, Adams, L. | Deposit date: | 2012-03-05 | Release date: | 2013-01-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4ALU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4alu by Molmil](/molmil-images/mine/4alu) | Benzofuropyrimidinone Inhibitors of Pim-1 | Descriptor: | 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Stout, T.J, Adams, L. | Deposit date: | 2012-03-05 | Release date: | 2013-01-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4ALV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4alv by Molmil](/molmil-images/mine/4alv) | Benzofuropyrimidinone Inhibitors of Pim-1 | Descriptor: | 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Stout, T.J, Adams, L. | Deposit date: | 2012-03-05 | Release date: | 2013-01-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4ANM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4anm by Molmil](/molmil-images/mine/4anm) | Complex of CK2 with a CDC7 inhibitor | Descriptor: | 8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, CASEIN KINASE II SUBUNIT ALPHA | Authors: | Stout, T.J. | Deposit date: | 2012-03-20 | Release date: | 2012-05-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Xl413, a Potent and Selective Cdc7 Inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
|
|
2KHW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2khw by Molmil](/molmil-images/mine/2khw) | Solution Structure of the human Polymerase iota UBM2-Ubiquitin Complex | Descriptor: | Immunoglobulin G-binding protein G, DNA polymerase iota, Ubiquitin | Authors: | Bomar, M.G, D'Souza, S, Bienko, M, Dikic, I, Walker, G. | Deposit date: | 2009-04-13 | Release date: | 2010-02-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of the human Polymerase iota UBM2-Ubiquitin Complex To be Published
|
|
2KHU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2khu by Molmil](/molmil-images/mine/2khu) | Solution Structure of the Ubiquitin-Binding Motif of Human Polymerase Iota | Descriptor: | Immunoglobulin G-binding protein G, DNA polymerase iota | Authors: | Bomar, M.G, D'Souza, S, Bienko, M, Dikic, I, Walker, G. | Deposit date: | 2009-04-11 | Release date: | 2010-02-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Unconventional Ubiquitin Recognition by the Ubiquitin-Binding Motif within the Y Family DNA Polymerases iota and Rev1. Mol.Cell, 37, 2010
|
|
2MPA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mpa by Molmil](/molmil-images/mine/2mpa) | BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS | Descriptor: | CADMIUM ION, CONJUGATE OF PORA P1.16 PEPTIDE WITH FLUORESCEIN, MN12H2 IGG2A-KAPPA, ... | Authors: | Van Den Elsen, J.M.H, Herron, J.N, Kroon, J, Gros, P. | Deposit date: | 1999-06-09 | Release date: | 1999-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide. Proteins, 29, 1997
|
|
7DN9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dn9 by Molmil](/molmil-images/mine/7dn9) | |
7DN8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dn8 by Molmil](/molmil-images/mine/7dn8) | Crystal structure of Salmonella effector SopF in complex with ARF1 | Descriptor: | ADP-ribosylation factor 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ding, J, Shao, F. | Deposit date: | 2020-12-09 | Release date: | 2021-12-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6084 Å) | Cite: | ARF GTPases activate Salmonella effector SopF to ADP-ribosylate host V-ATPase and inhibit endomembrane damage-induced autophagy. Nat.Struct.Mol.Biol., 29, 2022
|
|
5T8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t8d by Molmil](/molmil-images/mine/5t8d) | Engineered variant of I-OnuI meganuclease targeting the HIV integrase gene; harbors 47 point mutations relative to wild-type I-OnuI | Descriptor: | CALCIUM ION, DNA (26-MER), I-OnuI_e-vHIVInt_v2 | Authors: | Stoddard, B.L, Werther, R, Lambert, A.R. | Deposit date: | 2016-09-07 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Tuning DNA binding affinity and cleavage specificity of an engineered gene-targeting nuclease via surface display, flow cytometry and cellular analyses. Protein Eng.Des.Sel., 30, 2017
|
|
1QK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qk6 by Molmil](/molmil-images/mine/1qk6) | Solution structure of huwentoxin-I by NMR | Descriptor: | HUWENTOXIN-I | Authors: | Qu, Y, Liang, S, Ding, J, Liu, X, Zhang, R, Gu, X. | Deposit date: | 1999-07-10 | Release date: | 1999-08-20 | Last modified: | 2019-01-16 | Method: | SOLUTION NMR | Cite: | Proton Nuclear Magnetic Resonance Studies on Huwentoxin-I from the Venom of the Spider Selenocosmia Huwena:2.Three-Dimensional Structure in Solution J.Protein Chem., 16, 1997
|
|