8S9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8s9c by Molmil](/molmil-images/mine/8s9c) | Cryo-EM structure of Nav1.7 with CBZ | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2023-03-27 | Release date: | 2023-08-30 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
|
|
6D64
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d64 by Molmil](/molmil-images/mine/6d64) | Crystal Structure of Human CD1b in Complex with POPC | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | Authors: | Shahine, A.E, Rossjohn, J. | Deposit date: | 2018-04-20 | Release date: | 2019-01-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids. Nat Commun, 10, 2019
|
|
6DBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dbs by Molmil](/molmil-images/mine/6dbs) | Fusion surface structure, function, and dynamics of gamete fusogen HAP2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hapless 2, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Feng, J, Dong, X, Springer, T.A. | Deposit date: | 2018-05-03 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Fusion surface structure, function, and dynamics of gamete fusogen HAP2. Elife, 7, 2018
|
|
8SQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sqf by Molmil](/molmil-images/mine/8sqf) | OXA-48 bound to inhibitor CDD-2725 | Descriptor: | (1M)-3'-(benzyloxy)-5-hydroxy[1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2023-05-04 | Release date: | 2024-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
|
|
8SQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sqg by Molmil](/molmil-images/mine/8sqg) | OXA-48 bound to inhibitor CDD-2801 | Descriptor: | (1M)-3'-(benzyloxy)-5-[2-(methylamino)-2-oxoethoxy][1,1'-biphenyl]-3,4'-dicarboxylic acid, BICARBONATE ION, Beta-lactamase | Authors: | Park, S, Judge, A, Fan, J, Sankaran, B, Palzkill, T. | Deposit date: | 2023-05-04 | Release date: | 2024-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Exploiting the Carboxylate-Binding Pocket of beta-Lactamase Enzymes Using a Focused DNA-Encoded Chemical Library. J.Med.Chem., 67, 2024
|
|
7NEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nen by Molmil](/molmil-images/mine/7nen) | |
6R3S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r3s by Molmil](/molmil-images/mine/6r3s) | CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1 | Descriptor: | 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ... | Authors: | Boettcher, J. | Deposit date: | 2019-03-21 | Release date: | 2020-04-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
|
|
6DJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dj9 by Molmil](/molmil-images/mine/6dj9) | Structure of the USP15 DUSP domain in complex with a high-affinity Ubiquitin Variant (UbV) | Descriptor: | Ubiquitin Variant UbV 15.D, Ubiquitin carboxyl-terminal hydrolase 15 | Authors: | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | Deposit date: | 2018-05-24 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15. Structure, 27, 2019
|
|
6R61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r61 by Molmil](/molmil-images/mine/6r61) | Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258 | Descriptor: | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J. | Deposit date: | 2019-03-26 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258 To Be Published
|
|
6DY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dy7 by Molmil](/molmil-images/mine/6dy7) | WDR5 in complex with a WIN site inhibitor | Descriptor: | DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ... | Authors: | Phan, J, Wang, F, Fesik, S.W. | Deposit date: | 2018-07-01 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity. Cell Rep, 26, 2019
|
|
6E1Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e1y by Molmil](/molmil-images/mine/6e1y) | |
8SR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sr9 by Molmil](/molmil-images/mine/8sr9) | Cryo-EM structure of TRPM2 chanzyme in the presence of Magnesium | Descriptor: | CHOLESTEROL, MAGNESIUM ION, TRPM2 chanzyme | Authors: | Huang, Y, Kumar, S, Lu, W, Du, J. | Deposit date: | 2023-05-05 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution. Nat.Struct.Mol.Biol., 2024
|
|
8SR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sr8 by Molmil](/molmil-images/mine/8sr8) | |
8SRA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sra by Molmil](/molmil-images/mine/8sra) | Cryo-EM structure of TRPM2 chanzyme in the presence of Calcium | Descriptor: | CALCIUM ION, CHOLESTEROL, TRPM2 chanzyme | Authors: | Huang, Y, Kumar, S, Lu, W, Du, J. | Deposit date: | 2023-05-05 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution. Nat.Struct.Mol.Biol., 2024
|
|
8SRC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8src by Molmil](/molmil-images/mine/8src) | Cryo-EM structure of TRPM2 chanzyme in the presence of Calcium and ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, CHOLESTEROL, ... | Authors: | Huang, Y, Kumar, S, Lu, W, Du, J. | Deposit date: | 2023-05-05 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution. Nat.Struct.Mol.Biol., 2024
|
|
6DYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dya by Molmil](/molmil-images/mine/6dya) | WDR5 in complex with a WIN site inhibitor | Descriptor: | DIMETHYL SULFOXIDE, N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide, SULFATE ION, ... | Authors: | Phan, J, Wang, F, Fesik, S.W. | Deposit date: | 2018-07-01 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity. Cell Rep, 26, 2019
|
|
5W6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w6a by Molmil](/molmil-images/mine/5w6a) | HLA-C*06:02 presenting ARTELYRSL | Descriptor: | ALA-ARG-THR-GLU-LEU-TYR-ARG-SER-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Mobbs, J.I, Vivian, J.P, Rossjohn, J. | Deposit date: | 2017-06-16 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The molecular basis for peptide repertoire selection in the human leucocyte antigen (HLA) C*06:02 molecule. J. Biol. Chem., 292, 2017
|
|
5VJE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vje by Molmil](/molmil-images/mine/5vje) | Class II fructose-1,6-bisphosphate aldolase of Escherichia coli with D-glucitol 1,6-bisphosphate | Descriptor: | D-Glucitol-1,6-bisphosphate, Fructose-bisphosphate aldolase class 2, SODIUM ION | Authors: | Coincon, M, Sygusch, J. | Deposit date: | 2017-04-19 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases. J. Biol. Chem., 293, 2018
|
|
5VLY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vly by Molmil](/molmil-images/mine/5vly) | Asymmetric unit for the coat proteins of phage Qbeta | Descriptor: | Capsid protein | Authors: | Cui, Z, Zhang, J. | Deposit date: | 2017-04-26 | Release date: | 2017-10-18 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of Q beta virions, virus-like particles, and the Q beta-MurA complex reveal internal coat proteins and the mechanism of host lysis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6L0X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l0x by Molmil](/molmil-images/mine/6l0x) | The First Tudor Domain of PHF20L1 | Descriptor: | CITRIC ACID, GLYCEROL, PHD finger protein 20-like protein 1 | Authors: | Lv, M.Q, Gao, J. | Deposit date: | 2019-09-27 | Release date: | 2020-09-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1. J Phys Chem Lett, 11, 2020
|
|
7CL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cl0 by Molmil](/molmil-images/mine/7cl0) | Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
|
|
2FPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2fpy by Molmil](/molmil-images/mine/2fpy) | Dual binding mode of a novel series of DHODH inhibitors | Descriptor: | 3-({[3,5-DIFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)THIOPHENE-2-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ... | Authors: | Baumgartner, R, Leban, J. | Deposit date: | 2006-01-17 | Release date: | 2007-01-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dual binding mode of a novel series of DHODH inhibitors. J.Med.Chem., 49, 2006
|
|
7CL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cl1 by Molmil](/molmil-images/mine/7cl1) | Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
|
|
5W53
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w53 by Molmil](/molmil-images/mine/5w53) | |
4F7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f7t by Molmil](/molmil-images/mine/4f7t) | Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PB1 (498-505) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, Gao, G.F. | Deposit date: | 2012-05-16 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals. J.Virol., 86, 2012
|
|