7ZVI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zvi by Molmil](/molmil-images/mine/7zvi) | Non-canonical Staphylococcus aureus pathogenicity island repression | Descriptor: | Orf22, Sri | Authors: | Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Marina, A, Penades, J.R. | Deposit date: | 2022-05-16 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.973 Å) | Cite: | Non-canonical Staphylococcus aureus pathogenicity island repression. Nucleic Acids Res., 50, 2022
|
|
6LSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lsv by Molmil](/molmil-images/mine/6lsv) | Crystal structure of JOX2 in complex with 2OG, Fe, and JA | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, Probable 2-oxoglutarate-dependent dioxygenase At5g05600, ... | Authors: | Zhang, X, Wang, D, Liu, J. | Deposit date: | 2020-01-20 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Structure-guided analysis of Arabidopsis JASMONATE-INDUCED OXYGENASE (JOX) 2 reveals key residues for recognition of jasmonic acid substrate by plant JOXs. Mol Plant, 14, 2021
|
|
2CE6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ce6 by Molmil](/molmil-images/mine/2ce6) | Structure of Helix Pomatia agglutinin with no ligands | Descriptor: | HELIX POMATIA AGGLUTININ | Authors: | Sanchez, J.-F, Lescar, J, Chazalet, V, Audfray, A, Gautier, C, Gagnon, J, Breton, C, Imberty, A, Mitchell, E.P. | Deposit date: | 2006-02-03 | Release date: | 2006-05-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Biochemical and Structural Analysis of Helix Pomatia Agglutinin. A Hexameric Lectin with a Novel Fold. J.Biol.Chem., 281, 2006
|
|
7ZGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zgo by Molmil](/molmil-images/mine/7zgo) | Cryo-EM structure of human NKCC1 (TM domain) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Nissen, P, Fenton, R, Neumann, C, Lindtoft Rosenbaek, L, Kock Flygaard, R, Habeck, M, Lykkegaard Karlsen, J, Wang, Y, Lindorff-Larsen, K, Gad, H, Hartmann, R, Lyons, J. | Deposit date: | 2022-04-04 | Release date: | 2022-10-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Cryo-EM structure of the human NKCC1 transporter reveals mechanisms of ion coupling and specificity. Embo J., 41, 2022
|
|
6PA3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pa3 by Molmil](/molmil-images/mine/6pa3) | |
6SDU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sdu by Molmil](/molmil-images/mine/6sdu) | Xyloglucanase domain of NopAA, a type three effector from Sinorhizobium fredii in complex with cellobiose | Descriptor: | Type III effector NopAA, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Dorival, D, Philys, S, Guintini, E, Brailly, R, de Ruyck, J, Czjzek, M, Biondi, E. | Deposit date: | 2019-07-29 | Release date: | 2020-07-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and enzymatic characterisation of the Type III effector NopAA (=GunA) from Sinorhizobium fredii USDA257 reveals a Xyloglucan hydrolase activity. Sci Rep, 10, 2020
|
|
2N0X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n0x by Molmil](/molmil-images/mine/2n0x) | Three dimensional structure of EPI-X4, a human albumin-derived peptide that regulates innate immunity through the CXCR4/CXCL12 chemotactic axis and antagonizes HIV-1 entry | Descriptor: | Serum albumin | Authors: | Perez-Castells, J, Canales, A, Jimenez-Barbero, J, Gimenez-Gallego, G. | Deposit date: | 2015-03-18 | Release date: | 2015-04-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Discovery and characterization of an endogenous CXCR4 antagonist. Cell Rep, 11, 2015
|
|
8HRX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hrx by Molmil](/molmil-images/mine/8hrx) | Cryo-EM structure of human NTCP-myr-preS1-YN9048Fab complex | Descriptor: | Fab heavy chain from antibody IgG clone number YN9048, Fab light chain from antibody IgG clone number YN9048, PreS1 protein (Fragment), ... | Authors: | Asami, J, Shimizu, T, Ohto, U. | Deposit date: | 2022-12-16 | Release date: | 2024-01-17 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structural basis of hepatitis B virus receptor binding. Nat.Struct.Mol.Biol., 31, 2024
|
|
6AVG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6avg by Molmil](/molmil-images/mine/6avg) | Crystal structure of the KFJ37 TCR-NY-ESO-1-HLA-B*07:02 complex | Descriptor: | ALA-PRO-ARG-GLY-PRO-HIS-GLY-GLY-ALA-ALA-SER-GLY-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Gully, B.S, Gras, S, Rossjohn, J. | Deposit date: | 2017-09-02 | Release date: | 2018-02-28 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Divergent T-cell receptor recognition modes of a HLA-I restricted extended tumour-associated peptide. Nat Commun, 9, 2018
|
|
8A2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a2k by Molmil](/molmil-images/mine/8a2k) | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-[(2-naphthyloxy)methyl]phenyl)-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
|
|
8HL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hl1 by Molmil](/molmil-images/mine/8hl1) | |
8A2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a2h by Molmil](/molmil-images/mine/8a2h) | human STING in complex with 2',3'-cyclic-GMP-7-deazaphenyl-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Smola, M, Vavrina, Z, Boura, E, Brynda, J. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
|
|
8A2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a2j by Molmil](/molmil-images/mine/8a2j) | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-biphenylyl)-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
|
|
8HOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hog by Molmil](/molmil-images/mine/8hog) | Crystal structure of Bcl-2 in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
|
|
8HOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hoh by Molmil](/molmil-images/mine/8hoh) | Crystal structure of Bcl-2 G101V in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
|
|
8HOI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hoi by Molmil](/molmil-images/mine/8hoi) | Crystal structure of Bcl-2 D103Y in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
|
|
8A2I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a2i by Molmil](/molmil-images/mine/8a2i) | human STING in complex with 2'-3'-cyclic-GMP-7-deaza(4-(2-naphthyl)phenyl)-AMP | Descriptor: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one, Stimulator of interferon genes protein | Authors: | Vavrina, Z, Brynda, J, Rezacova, P. | Deposit date: | 2022-06-03 | Release date: | 2022-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Design, Synthesis, and Biochemical and Biological Evaluation of Novel 7-Deazapurine Cyclic Dinucleotide Analogues as STING Receptor Agonists. J.Med.Chem., 65, 2022
|
|
8HRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hry by Molmil](/molmil-images/mine/8hry) | Cryo-EM structure of human NTCP-myr-preS1-YN9016Fab complex | Descriptor: | Fab heavy chain from antibody IgG clone number YN9016, Fab light chain from antibody IgG clone number YN9016, Large S protein (Fragment), ... | Authors: | Asami, J, Shimizu, T, Ohto, U. | Deposit date: | 2022-12-16 | Release date: | 2024-01-17 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Structural basis of hepatitis B virus receptor binding. Nat.Struct.Mol.Biol., 31, 2024
|
|
6LU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lu5 by Molmil](/molmil-images/mine/6lu5) | Crystal structure of BPTF-BRD with ligand DCBPin5 bound | Descriptor: | 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2020-01-25 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86527729 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
|
|
6LU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lu6 by Molmil](/molmil-images/mine/6lu6) | Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound | Descriptor: | 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | Authors: | Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C. | Deposit date: | 2020-01-26 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.970063 Å) | Cite: | Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins To Be Published
|
|
6PA8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pa8 by Molmil](/molmil-images/mine/6pa8) | |
6B3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b3m by Molmil](/molmil-images/mine/6b3m) | The crystal structure of a broadly-reactive human anti-hemagglutinin stalk antibody (70-1F02) in complex with H5 hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 70-1F02 Fab Heavy Chain, ... | Authors: | Shore, D.A, Yang, H, Stevens, J. | Deposit date: | 2017-09-22 | Release date: | 2018-06-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.92 Å) | Cite: | Broadly Reactive Human Monoclonal Antibodies Elicited following Pandemic H1N1 Influenza Virus Exposure Protect Mice against Highly Pathogenic H5N1 Challenge. J. Virol., 92, 2018
|
|
6SK7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sk7 by Molmil](/molmil-images/mine/6sk7) | Cryo-EM structure of rhinovirus-A89 | Descriptor: | VP1 capsid protein, VP2 capsid protein, VP3 capsid protein, ... | Authors: | Wald, J, Goessweiner-Mohr, N, Blaas, D, Pasin, M. | Deposit date: | 2019-08-14 | Release date: | 2019-09-04 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding site. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6SQ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sq0 by Molmil](/molmil-images/mine/6sq0) | |
7TPD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tpd by Molmil](/molmil-images/mine/7tpd) | Integrin alaphIIBbeta3 complex with EF5154 | Descriptor: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2022-01-25 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors. Cell, 185, 2022
|
|