2KBQ
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3SHU
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![BU of 3shu by Molmil](/molmil-images/mine/3shu) | Crystal structure of ZO-1 PDZ3 | Descriptor: | Tight junction protein ZO-1 | Authors: | Yu, J, Pan, L, Chen, J, Yu, H, Zhang, M. | Deposit date: | 2011-06-17 | Release date: | 2011-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The Structure of the PDZ3-SH3-GuK Tandem of ZO-1 Suggests a Supramodular Organization of the Conserved MAGUK Family Scaffold Core To be Published
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8WA2
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![BU of 8wa2 by Molmil](/molmil-images/mine/8wa2) | cryo-EM structure of native mastigonemes isolated from Chlamydomonas reinhardtii at 3.0 angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Huang, J, Tao, H, Chen, J, Pan, J, Yan, C, Yan, N. | Deposit date: | 2023-09-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure-guided discovery of protein and glycan components in native mastigonemes. Cell, 187, 2024
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6OQA
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![BU of 6oqa by Molmil](/molmil-images/mine/6oqa) | Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product | Descriptor: | (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | Authors: | Lee, S.-J, Shigdel, U.K, Townson, S.A, Verdine, G.L. | Deposit date: | 2019-04-26 | Release date: | 2020-04-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Genomic discovery of an evolutionarily programmed modality for small-molecule targeting of an intractable protein surface. Proc.Natl.Acad.Sci.USA, 117, 2020
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2IRW
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![BU of 2irw by Molmil](/molmil-images/mine/2irw) | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor | Descriptor: | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Longenecker, K.L, Patel, J.R, Russell, J, Qin, W. | Deposit date: | 2006-10-16 | Release date: | 2007-01-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 17, 2007
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7C8J
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![BU of 7c8j by Molmil](/molmil-images/mine/7c8j) | Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | Descriptor: | Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | Deposit date: | 2020-06-01 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2. Proc.Natl.Acad.Sci.USA, 118, 2021
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7C8K
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![BU of 7c8k by Molmil](/molmil-images/mine/7c8k) | Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | Deposit date: | 2020-06-02 | Release date: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2. Proc.Natl.Acad.Sci.USA, 118, 2021
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5XFE
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![BU of 5xfe by Molmil](/molmil-images/mine/5xfe) | Luciferin-regenerating enzyme solved by SAD using XFEL (refined against 11,000 patterns) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2017-04-10 | Release date: | 2017-08-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography IUCrJ, 4, 2017
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3SHW
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![BU of 3shw by Molmil](/molmil-images/mine/3shw) | Crystal structure of ZO-1 PDZ3-SH3-Guk supramodule complex with Connexin-45 peptide | Descriptor: | Gap junction gamma-1 protein, Tight junction protein ZO-1 | Authors: | Yu, J, Pan, L, Chen, J, Yu, H, Zhang, M. | Deposit date: | 2011-06-17 | Release date: | 2011-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Structure of the PDZ3-SH3-GuK Tandem of ZO-1 Suggests a Supramodular Organization of the Conserved MAGUK Family Scaffold Core To be Published
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6VYH
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![BU of 6vyh by Molmil](/molmil-images/mine/6vyh) | Cryo-EM structure of SLC40/ferroportin in complex with Fab | Descriptor: | 11F9 heavy-chain, 11F9 light-chain, COBALT (II) ION, ... | Authors: | Shen, J, Ren, Z, Pan, Y, Gao, S, Yan, N, Zhou, M. | Deposit date: | 2020-02-26 | Release date: | 2020-11-11 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of ion transport and inhibition in ferroportin. Nat Commun, 11, 2020
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6WIK
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![BU of 6wik by Molmil](/molmil-images/mine/6wik) | Cryo-EM structure of SLC40/ferroportin with Fab in the presence of hepcidin | Descriptor: | 11F9 Fab heavy-chain, 11F9 Fab light-chain, Solute carrier family 40 protein | Authors: | Shen, J, Ren, Z, Pan, Y, Gao, S, Yan, N, Zhou, M. | Deposit date: | 2020-04-10 | Release date: | 2020-11-11 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of ion transport and inhibition in ferroportin. Nat Commun, 11, 2020
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1WUG
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![BU of 1wug by Molmil](/molmil-images/mine/1wug) | complex structure of PCAF bromodomain with small chemical ligand NP1 | Descriptor: | Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | Authors: | Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M. | Deposit date: | 2004-12-07 | Release date: | 2005-08-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Selective small molecules blocking HIV-1 Tat and coactivator PCAF association J.Am.Chem.Soc., 127, 2005
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1WUM
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![BU of 1wum by Molmil](/molmil-images/mine/1wum) | Complex structure of PCAF bromodomain with small chemical ligand NP2 | Descriptor: | Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | Authors: | Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M. | Deposit date: | 2004-12-08 | Release date: | 2005-08-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Selective small molecules blocking HIV-1 Tat and coactivator PCAF association J.Am.Chem.Soc., 127, 2005
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7NA3
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![BU of 7na3 by Molmil](/molmil-images/mine/7na3) | HDM2 in complex with compound 62 | Descriptor: | 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Scapin, G. | Deposit date: | 2021-06-19 | Release date: | 2021-11-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction. J.Med.Chem., 64, 2021
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2ILT
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![BU of 2ilt by Molmil](/molmil-images/mine/2ilt) | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor | Descriptor: | 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T. | Deposit date: | 2006-10-03 | Release date: | 2007-04-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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8E57
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![BU of 8e57 by Molmil](/molmil-images/mine/8e57) | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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8E58
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![BU of 8e58 by Molmil](/molmil-images/mine/8e58) | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gao, S, Yao, X, Yan, N. | Deposit date: | 2022-08-20 | Release date: | 2022-12-07 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels. Cell, 185, 2022
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5ZUV
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![BU of 5zuv by Molmil](/molmil-images/mine/5zuv) | Crystal Structure of the Human Coronavirus 229E HR1 motif in complex with pan-CoVs inhibitor EK1 | Descriptor: | CHLORIDE ION, Spike glycoprotein,Spike glycoprotein,inhibitor EK1 | Authors: | Yan, L, Yang, B, Wilson, I.A. | Deposit date: | 2018-05-08 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | A pan-coronavirus fusion inhibitor targeting the HR1 domain of human coronavirus spike. Sci Adv, 5, 2019
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2LD3
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5JFW
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![BU of 5jfw by Molmil](/molmil-images/mine/5jfw) | Crystal structure of TrkA in complex with PF-05247452 | Descriptor: | 2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide, High affinity nerve growth factor receptor | Authors: | Jayasankar, J, Kurumbail, R, Skerratt, S, Brown, D. | Deposit date: | 2016-04-19 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain. J. Med. Chem., 59, 2016
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5JFS
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![BU of 5jfs by Molmil](/molmil-images/mine/5jfs) | Crystal structure of TrkA in complex with PF-00593174 | Descriptor: | High affinity nerve growth factor receptor, N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea | Authors: | Jayasankar, J, Brown, D, Skerratt, S, Kurumbail, R. | Deposit date: | 2016-04-19 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain. J. Med. Chem., 59, 2016
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5JFV
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![BU of 5jfv by Molmil](/molmil-images/mine/5jfv) | Crystal structure of TrkA in complex with PF-05206283 | Descriptor: | High affinity nerve growth factor receptor, N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide | Authors: | Jayasankar, J, Kurumbail, R, Brown, D, Skerratt, S. | Deposit date: | 2016-04-19 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain. J. Med. Chem., 59, 2016
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5JFX
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![BU of 5jfx by Molmil](/molmil-images/mine/5jfx) | Crystal structure of TrkA in complex with PF-06273340 | Descriptor: | High affinity nerve growth factor receptor, N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide | Authors: | Jayasankar, J, Kurumbail, R, Skerratt, S, Brown, D. | Deposit date: | 2016-04-19 | Release date: | 2017-03-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain. J. Med. Chem., 59, 2016
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1J8A
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6ZN6
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![BU of 6zn6 by Molmil](/molmil-images/mine/6zn6) | Protein polybromo-1 (PB1 BD2) Bound To MW278 | Descriptor: | 1,2-ETHANEDIOL, 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol, Protein polybromo-1 | Authors: | Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. | Deposit date: | 2020-07-06 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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