4HYT
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![BU of 4hyt by Molmil](/molmil-images/mine/4hyt) | Na,K-ATPase in the E2P state with bound ouabain and Mg2+ in the cation-binding site | Descriptor: | 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Laursen, M, Yatime, L, Nissen, P, Fedosova, N.U. | Deposit date: | 2012-11-14 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.404 Å) | Cite: | Crystal structure of the high-affinity Na+,K+-ATPase-ouabain complex with Mg2+ bound in the cation binding site. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HW3
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![BU of 4hw3 by Molmil](/molmil-images/mine/4hw3) | Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design | Descriptor: | 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhao, B. | Deposit date: | 2012-11-07 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. J.Med.Chem., 56, 2013
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4I2P
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![BU of 4i2p by Molmil](/molmil-images/mine/4i2p) | Crystal structure of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) based analogue | Descriptor: | (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile, Gag-Pol polyprotein | Authors: | Patel, D, Bauman, J.D, Das, K, Arnold, E. | Deposit date: | 2012-11-22 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2964 Å) | Cite: | A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants. Retrovirology, 9, 2012
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4HXY
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![BU of 4hxy by Molmil](/molmil-images/mine/4hxy) | |
7DGD
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![BU of 7dgd by Molmil](/molmil-images/mine/7dgd) | apo state of class C GPCR | Descriptor: | Metabotropic glutamate receptor 1 | Authors: | Zhang, J.Y, Wu, L.J, Luo, F, Hua, T, Liu, Z.J. | Deposit date: | 2020-11-11 | Release date: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Structural insights into the activation initiation of full-length mGlu1. Protein Cell, 12, 2021
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4HYX
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![BU of 4hyx by Molmil](/molmil-images/mine/4hyx) | Crystal Structure Analysis of the Bacteriorhodopsin in Facial Amphiphile-4 DMPC Bicelle | Descriptor: | Bacteriorhodopsin, DECANE, GLYCEROL, ... | Authors: | Lee, S, Stout, C.D, Zhang, Q. | Deposit date: | 2012-11-14 | Release date: | 2013-03-20 | Last modified: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Steroid-based facial amphiphiles for stabilization and crystallization of membrane proteins. Proc.Natl.Acad.Sci.USA, 110, 2013
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4I5B
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![BU of 4i5b by Molmil](/molmil-images/mine/4i5b) | |
7DGE
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![BU of 7dge by Molmil](/molmil-images/mine/7dge) | intermediate state of class C GPCR | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Metabotropic glutamate receptor 1, nanobody | Authors: | Zhang, J.Y, Wu, L.J, Luo, F, Hua, T, Liu, Z.J. | Deposit date: | 2020-11-11 | Release date: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | Structural insights into the activation initiation of full-length mGlu1. Protein Cell, 12, 2021
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5FIL
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![BU of 5fil by Molmil](/molmil-images/mine/5fil) | Bovine mitochondrial ATP synthase state 3b | Descriptor: | ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ... | Authors: | Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L. | Deposit date: | 2015-09-28 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM. Elife, 4, 2015
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4HZH
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![BU of 4hzh by Molmil](/molmil-images/mine/4hzh) | Structure of recombinant Gla-domainless prothrombin mutant S525A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | Authors: | Pozzi, N, Niu, W, Gohara, D.W, Chen, Z, Di Cera, E. | Deposit date: | 2012-11-15 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of prothrombin reveals conformational flexibility and mechanism of activation. J.Biol.Chem., 288, 2013
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7D4N
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![BU of 7d4n by Molmil](/molmil-images/mine/7d4n) | Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 20 min | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2020-09-24 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation. Front Microbiol, 12, 2021
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5FLM
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![BU of 5flm by Molmil](/molmil-images/mine/5flm) | Structure of transcribing mammalian RNA polymerase II | Descriptor: | DNA, DNA-RNA ELONGATION SCAFFOLD, DNA-DIRECTED RNA POLYMERASE, ... | Authors: | Bernecky, C, Herzog, F, Baumeister, W, Plitzko, J.M, Cramer, P. | Deposit date: | 2015-10-26 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of Transcribing Mammalian RNA Polymerase II Nature, 529, 2016
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7D4M
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![BU of 7d4m by Molmil](/molmil-images/mine/7d4m) | Crystal structure of Tmm from strain HTCC7211 soaked with DMS for 5 min | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2020-09-24 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation. Front Microbiol, 12, 2021
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5FVW
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![BU of 5fvw by Molmil](/molmil-images/mine/5fvw) | Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl) pyridin-2-amine | Descriptor: | 4-METHYL-6-(2-(5-(3-(METHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2016-02-10 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
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7D4K
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![BU of 7d4k by Molmil](/molmil-images/mine/7d4k) | Crystal structure of Tmm from Pelagibacter sp. strain HTCC7211 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase FMO, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, C.Y, Zhang, Y.Z. | Deposit date: | 2020-09-24 | Release date: | 2021-09-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Mechanistic Insights Into Dimethylsulfoxide Formation Through Dimethylsulfide Oxidation. Front Microbiol, 12, 2021
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4IRQ
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![BU of 4irq by Molmil](/molmil-images/mine/4irq) | Crystal structure of catalytic domain of human beta1,4galactosyltransferase 7 in closed conformation in complex with manganese and UDP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-1,4-galactosyltransferase 7, MANGANESE (II) ION, ... | Authors: | Tsutsui, Y, Ramakrishnan, B, Qasba, P.K. | Deposit date: | 2013-01-15 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of beta-1,4-galactosyltransferase 7 enzyme reveal conformational changes and substrate binding. J.Biol.Chem., 288, 2013
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4IS6
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![BU of 4is6 by Molmil](/molmil-images/mine/4is6) | Crystal structure of HLA-DR4 bound to GP100 peptide | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-4 beta chain, ... | Authors: | Li, Y. | Deposit date: | 2013-01-16 | Release date: | 2013-10-23 | Last modified: | 2013-11-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Altered MHC Class II-Restricted Peptide Ligands with Heterogeneous Immunogenicity. J.Immunol., 191, 2013
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5FBA
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![BU of 5fba by Molmil](/molmil-images/mine/5fba) | S1 nuclease from Aspergillus oryzae in complex with phosphate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Nuclease S1, ... | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition. PLoS ONE, 11, 2016
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5FBD
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![BU of 5fbd by Molmil](/molmil-images/mine/5fbd) | S1 nuclease from Aspergillus oryzae in complex with phosphate and 2'-deoxycytidine | Descriptor: | 2'-DEOXYCYTIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition. PLoS ONE, 11, 2016
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5FBJ
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![BU of 5fbj by Molmil](/molmil-images/mine/5fbj) | Complex structure of JMJD5 and substrate | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Lysine-specific demethylase 8, ... | Authors: | Liu, H.L, Wang, Y, Wang, C, Zhang, G.Y. | Deposit date: | 2015-12-14 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | to be published To Be Published
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5FBZ
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![BU of 5fbz by Molmil](/molmil-images/mine/5fbz) | Structure of subtilase SubHal from Bacillus halmapalus - complex with chymotrypsin inhibitor CI2A | Descriptor: | Autoproteolytic fragment of enzyme subtilase SubHal, CALCIUM ION, Enzyme subtilase SubHal from Bacillus halmapalus, ... | Authors: | Dohnalek, J, Brzozowski, A.M, Svendsen, A, Wilson, K.S. | Deposit date: | 2015-12-14 | Release date: | 2016-05-18 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family Book, 2016
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5FCG
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![BU of 5fcg by Molmil](/molmil-images/mine/5fcg) | |
7D6Y
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![BU of 7d6y by Molmil](/molmil-images/mine/7d6y) | eIF4E in Complex with a Disulphide-Free Autonomous VH Domain | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Eukaryotic translation initiation factor 4E, VH Domain (1C5), ... | Authors: | Brown, C.J, Frosi, Y, Jiang, S, Lin, Y.C. | Deposit date: | 2020-10-02 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.668 Å) | Cite: | Engineering Disulphide-Free Autonomous Antibody VH Domains to modulate intracellular pathways To Be Published
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7FIX
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7F93
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![BU of 7f93 by Molmil](/molmil-images/mine/7f93) | Structure of connexin43/Cx43/GJA1 gap junction intercellular channel in nanodiscs with soybean lipids at pH ~8.0 | Descriptor: | Gap junction alpha-1 protein, TETRADECANE | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | Deposit date: | 2021-07-03 | Release date: | 2022-07-06 | Last modified: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM. Nat Commun, 14, 2023
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