7QZ2
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![BU of 7qz2 by Molmil](/molmil-images/mine/7qz2) | Crystal structure of GacS D1 domain in complex with BeF3- | Descriptor: | BERYLLIUM TRIFLUORIDE ION, CADMIUM ION, Histidine kinase, ... | Authors: | Fadel, F, Bassim, V, Botzanowski, T, Francis, V.I, Legrand, P, Porter, S.L, Bourne, Y, Cianferani, S, Vincent, F. | Deposit date: | 2022-01-30 | Release date: | 2022-07-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS. Structure, 30, 2022
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5DRY
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![BU of 5dry by Molmil](/molmil-images/mine/5dry) | Crystal structure of Dot1L in complex with inhibitor CPD3 [N-(1-(2-chlorophenyl)-1H-indol-6-yl)-2-(2-(5-(2-chlorophenyl)-1H-tetrazol-1-yl)acetyl)hydrazinecarboxamide] | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-[1-(2-chlorophenyl)-1H-indol-6-yl]-2-{[5-(2-chlorophenyl)-1H-tetrazol-1-yl]acetyl}hydrazinecarboxamide, ... | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | Deposit date: | 2015-09-16 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
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6NV2
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![BU of 6nv2 by Molmil](/molmil-images/mine/6nv2) | 14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005 | Descriptor: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2019-02-04 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products. J.Am.Chem.Soc., 142, 2020
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5DTM
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![BU of 5dtm by Molmil](/molmil-images/mine/5dtm) | Crystal structure of Dot1L in complex with inhibitor CPD1 [4-(2,6-dichlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide] | Descriptor: | 4-(2,6-dichlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide, Histone-lysine N-methyltransferase, H3 lysine-79 specific | Authors: | Scheufler, C, Be, C, Moebitz, H, Stauffer, F. | Deposit date: | 2015-09-18 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket. Acs Med.Chem.Lett., 7, 2016
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6NCS
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![BU of 6ncs by Molmil](/molmil-images/mine/6ncs) | |
7R57
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![BU of 7r57 by Molmil](/molmil-images/mine/7r57) | |
5DY1
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![BU of 5dy1 by Molmil](/molmil-images/mine/5dy1) | |
5E0K
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5E2R
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![BU of 5e2r by Molmil](/molmil-images/mine/5e2r) | The crystal structure of the human carbonic anhydrase II in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor | Descriptor: | 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Alterio, V, De Simone, G. | Deposit date: | 2015-10-01 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors. J.Med.Chem., 58, 2015
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6NTC
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![BU of 6ntc by Molmil](/molmil-images/mine/6ntc) | Crystal Structure of G12V HRas-GppNHp bound in complex with the engineered RBD variant 1 of CRAF Kinase protein | Descriptor: | GLYCEROL, GTPase HRas, MAGNESIUM ION, ... | Authors: | Maisonneuve, P, Kurinov, I, Wiechmann, S, Ernst, A, Sicheri, F. | Deposit date: | 2019-01-28 | Release date: | 2020-03-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Conformation-specific inhibitors of activated Ras GTPases reveal limited Ras dependency of patient-derived cancer organoids. J.Biol.Chem., 295, 2020
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5EC1
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![BU of 5ec1 by Molmil](/molmil-images/mine/5ec1) | KcsA with V76ester mutation | Descriptor: | Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ... | Authors: | Matulef, K, Valiyaveetil, F.I. | Deposit date: | 2015-10-20 | Release date: | 2016-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation. Structure, 24, 2016
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5DWC
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5EBL
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![BU of 5ebl by Molmil](/molmil-images/mine/5ebl) | KcsA T75G in the Conductive State | Descriptor: | Antibody Fab Fragment Light Chain, DIACYL GLYCEROL, NONAN-1-OL, ... | Authors: | Matulef, K, Valiyaveetil, F.I. | Deposit date: | 2015-10-19 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Individual Ion Binding Sites in the K(+) Channel Play Distinct Roles in C-type Inactivation and in Recovery from Inactivation. Structure, 24, 2016
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6NPH
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![BU of 6nph by Molmil](/molmil-images/mine/6nph) | Structure of NKCC1 TM domain | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Feng, L, Liao, M.F, Orlando, B, Zhang, J.R. | Deposit date: | 2019-01-17 | Release date: | 2019-07-31 | Last modified: | 2020-01-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and mechanism of the cation-chloride cotransporter NKCC1. Nature, 572, 2019
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5E26
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![BU of 5e26 by Molmil](/molmil-images/mine/5e26) | Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | DONG, A, LOPPNAU, P, RAVICHANDRAN, M, CHENG, C, TEMPEL, W, SEITOVA, A, HUTCHINSON, A, HONG, B.S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-30 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate to be published
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5E2W
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![BU of 5e2w by Molmil](/molmil-images/mine/5e2w) | Anti-TAU AT8 FAB with triply phosphorylated TAU peptide | Descriptor: | AT8 HEAVY CHAIN, AT8 LIGHT CHAIN, TAU-PHOSPHOPEPTIDE | Authors: | Malia, T, Teplyakov, A. | Deposit date: | 2015-10-01 | Release date: | 2016-02-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Epitope mapping and structural basis for the recognition of phosphorylated tau by the anti-tau antibody AT8. Proteins, 84, 2016
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6NTV
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![BU of 6ntv by Molmil](/molmil-images/mine/6ntv) | SFTSV L endonuclease domain | Descriptor: | RNA polymerase | Authors: | Wang, W, Amarasinghe, G.K. | Deposit date: | 2019-01-30 | Release date: | 2020-01-08 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target. Cell Rep, 30, 2020
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6OPQ
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![BU of 6opq by Molmil](/molmil-images/mine/6opq) | CD4- and 17-bound HIV-1 Env B41 SOSIP frozen with LMNG | Descriptor: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2019-04-25 | Release date: | 2020-10-21 | Last modified: | 2020-12-09 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide. Cell Rep, 33, 2020
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6O8S
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![BU of 6o8s by Molmil](/molmil-images/mine/6o8s) | Syn-safencin 56 | Descriptor: | Circular bacteriocin, circularin A/uberolysin family | Authors: | Fields, F.R, Lee, S.W. | Deposit date: | 2019-03-11 | Release date: | 2020-05-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy. Acs Pharmacol Transl Sci, 3, 2020
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6OS6
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5DO6
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![BU of 5do6 by Molmil](/molmil-images/mine/5do6) | Crystal structure of Dendroaspis polylepis venom mambalgin-1 T23A mutant | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Mambalgin-1, ... | Authors: | Stura, E.A, Tepshi, L, Kessler, P, Gilles, M, Servent, D. | Deposit date: | 2015-09-10 | Release date: | 2015-12-30 | Last modified: | 2017-01-25 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition. J.Biol.Chem., 291, 2016
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5DUX
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![BU of 5dux by Molmil](/molmil-images/mine/5dux) | Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with 2'-fucosyllactose | Descriptor: | FORMIC ACID, GLYCEROL, Galectin-4, ... | Authors: | Bum-Erdene, K, Blanchard, H. | Deposit date: | 2015-09-21 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3'-sulfo-lactose, and 2'-fucosyllactose. Sci Rep, 6, 2016
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8OOX
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![BU of 8oox by Molmil](/molmil-images/mine/8oox) | Glutamine synthetase from Methermicoccus shengliensis at a resolution of 3.09 A | Descriptor: | CITRIC ACID, GLYCEROL, Glutamine synthetase, ... | Authors: | Mueller, M.-C, Lemaire, O.N, Wagner, T. | Deposit date: | 2023-04-06 | Release date: | 2024-01-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Differences in regulation mechanisms of glutamine synthetases from methanogenic archaea unveiled by structural investigations. Commun Biol, 7, 2024
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8OXN
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![BU of 8oxn by Molmil](/molmil-images/mine/8oxn) | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXYC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2023-05-02 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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8OXT
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![BU of 8oxt by Molmil](/molmil-images/mine/8oxt) | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) H251A VARIANT COMPLEXED WITH N-ACETYLANTHRANILATE AS RESULT OF IN CRYSTALLO TURNOVER OF ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE UNDER HYPEROXIC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2023-05-02 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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