8FM8
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![BU of 8fm8 by Molmil](/molmil-images/mine/8fm8) | HIV-1 gp120 complex with CJF-IV-046 | Descriptor: | (pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gong, Z, Hendrickson, W.A. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity. Proc.Natl.Acad.Sci.USA, 120, 2023
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6UOE
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5ID6
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![BU of 5id6 by Molmil](/molmil-images/mine/5id6) | Structure of Cpf1/RNA Complex | Descriptor: | Cpf1, MAGNESIUM ION, RNA (5'-R(P*AP*AP*UP*UP*UP*CP*UP*AP*CP*UP*AP*AP*GP*UP*GP*UP*AP*GP*AP*UP*C)-3') | Authors: | Dong, D, Ren, K, Qiu, X, Wang, J, Huang, Z. | Deposit date: | 2016-02-24 | Release date: | 2016-04-27 | Last modified: | 2016-05-11 | Method: | X-RAY DIFFRACTION (2.382 Å) | Cite: | The crystal structure of Cpf1 in complex with CRISPR RNA Nature, 532, 2016
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1JK6
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![BU of 1jk6 by Molmil](/molmil-images/mine/1jk6) | UNCOMPLEXED DES 1-6 BOVINE NEUROPHYSIN | Descriptor: | NEUROPHYSIN 2 | Authors: | Rose, J.P, Wang, B.-C. | Deposit date: | 2001-07-11 | Release date: | 2003-04-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of an Unliganded Neurophysin and its Vasopressin Complex: Implications for Binding and Allosteric Mechanisms Protein Sci., 10, 2003
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1JK4
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![BU of 1jk4 by Molmil](/molmil-images/mine/1jk4) | DES 1-6 BOVINE NEUROPHYSIN II COMPLEX WITH VASOPRESSIN | Descriptor: | CADMIUM ION, Lys Vasopressin, NEUROPHYSIN 2 | Authors: | Rose, J.P, Wang, B.-C. | Deposit date: | 2001-07-11 | Release date: | 2003-02-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of an Unliganded Neurophysin and its Vasopressin Complex: Implications for Binding and Allosteric Mechanisms Protein Sci., 10, 2001
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1NPO
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8E18
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![BU of 8e18 by Molmil](/molmil-images/mine/8e18) | Crystal structure of apo TnmK1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Secreted hydrolase | Authors: | Liu, Y.-C, Gui, C, Shen, B. | Deposit date: | 2022-08-10 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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7OLX
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![BU of 7olx by Molmil](/molmil-images/mine/7olx) | MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group | Descriptor: | CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
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7OLS
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![BU of 7ols by Molmil](/molmil-images/mine/7ols) | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group | Descriptor: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
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7OLV
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![BU of 7olv by Molmil](/molmil-images/mine/7olv) | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group | Descriptor: | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
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2BN2
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3COC
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5IWL
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![BU of 5iwl by Molmil](/molmil-images/mine/5iwl) | CD47-diabody complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5F9 diabody, Leukocyte surface antigen CD47, ... | Authors: | Di, W, Jude, K.M, Garcia, K.C. | Deposit date: | 2016-03-22 | Release date: | 2016-06-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | CD47-blocking immunotherapies stimulate macrophage-mediated destruction of small-cell lung cancer. J.Clin.Invest., 126, 2016
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6N4N
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![BU of 6n4n by Molmil](/molmil-images/mine/6n4n) | Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ... | Authors: | Wang, Z, Foight, G.W, Baker, D, Maly, D.J. | Deposit date: | 2018-11-19 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Multi-input chemical control of protein dimerization for programming graded cellular responses. Nat.Biotechnol., 37, 2019
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3FHO
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![BU of 3fho by Molmil](/molmil-images/mine/3fho) | Structure of S. pombe Dbp5 | Descriptor: | ATP-dependent RNA helicase dbp5 | Authors: | Cheng, Z, Song, H. | Deposit date: | 2008-12-09 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Solution and crystal structures of mRNA exporter Dbp5p and its interaction with nucleotides J.Mol.Biol., 388, 2009
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2GYT
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3COD
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![BU of 3cod by Molmil](/molmil-images/mine/3cod) | Crystal Structure of T90A/D115A mutant of Bacteriorhodopsin | Descriptor: | Bacteriorhodopsin, RETINAL | Authors: | Joh, N.H, Min, A, Faham, S, Bowie, J.U. | Deposit date: | 2008-03-27 | Release date: | 2008-04-08 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Modest stabilization by most hydrogen-bonded side-chain interactions in membrane proteins. Nature, 453, 2008
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6LML
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![BU of 6lml by Molmil](/molmil-images/mine/6lml) | Cryo-EM structure of the human glucagon receptor in complex with Gi1 | Descriptor: | Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Qiao, A, Han, S, Li, X, Sun, F, Zhao, Q, Wu, B. | Deposit date: | 2019-12-26 | Release date: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of Gsand Girecognition by the human glucagon receptor. Science, 367, 2020
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6LMK
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![BU of 6lmk by Molmil](/molmil-images/mine/6lmk) | Cryo-EM structure of the human glucagon receptor in complex with Gs | Descriptor: | Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Qiao, A, Han, S, Tai, L, Sun, F, Zhao, Q, Wu, B. | Deposit date: | 2019-12-26 | Release date: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of Gsand Girecognition by the human glucagon receptor. Science, 367, 2020
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6M19
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![BU of 6m19 by Molmil](/molmil-images/mine/6m19) | Template lasso peptide C24 mutant W14F | Descriptor: | lasso peptide | Authors: | Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M. | Deposit date: | 2020-02-25 | Release date: | 2021-03-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications. Chem Sci, 12, 2021
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7UYA
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![BU of 7uya by Molmil](/molmil-images/mine/7uya) | Inhibitor bound VIM1 | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYD
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![BU of 7uyd by Molmil](/molmil-images/mine/7uyd) | Inhibitor bound VIM1 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYB
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![BU of 7uyb by Molmil](/molmil-images/mine/7uyb) | Inhibitor bound VIM1 | Descriptor: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYC
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![BU of 7uyc by Molmil](/molmil-images/mine/7uyc) | Inhibitor bound VIM1 | Descriptor: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | Authors: | Fischmann, T.O, Scapin, G. | Deposit date: | 2022-05-06 | Release date: | 2023-05-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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6LMS
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