6RKM
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![BU of 6rkm by Molmil](/molmil-images/mine/6rkm) | Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-04-30 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6RL4
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![BU of 6rl4 by Molmil](/molmil-images/mine/6rl4) | Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-05-01 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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1RT7
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![BU of 1rt7 by Molmil](/molmil-images/mine/1rt7) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC84 | Descriptor: | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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6RX2
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![BU of 6rx2 by Molmil](/molmil-images/mine/6rx2) | Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide, CALCIUM ION, ... | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-07 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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1RT5
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![BU of 1rt5 by Molmil](/molmil-images/mine/1rt5) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC10 | Descriptor: | HIV-1 REVERSE TRANSCRIPTASE, N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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1RT6
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![BU of 1rt6 by Molmil](/molmil-images/mine/1rt6) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC38 | Descriptor: | 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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1RT4
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![BU of 1rt4 by Molmil](/molmil-images/mine/1rt4) | HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC781 | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | Authors: | Ren, J, Stammers, D.K, Stuart, D.I. | Deposit date: | 1998-07-29 | Release date: | 1999-07-29 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
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1OKE
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![BU of 1oke by Molmil](/molmil-images/mine/1oke) | |
1N64
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![BU of 1n64 by Molmil](/molmil-images/mine/1n64) | Crystal structure analysis of the immunodominant antigenic site on Hepatitis C virus protein bound to mAb 19D9D6 | Descriptor: | Fab 19D9D6 heavy chain, Fab 19D9D6 light chain, Genome polyprotein Capsid protein C | Authors: | Menez, R, Bossus, M, Muller, B, Sibai, G, Dalbon, P, Ducancel, F, Jolivet-Reynaud, C, Stura, E. | Deposit date: | 2002-11-08 | Release date: | 2003-02-25 | Last modified: | 2013-09-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of a hydrophobic immunodominant
antigenic site on hepatitis C virus core protein
complexed to monoclonal antibody 19D9D6. J.Immunol., 170, 2003
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4ZDR
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![BU of 4zdr by Molmil](/molmil-images/mine/4zdr) | Crystal structure of 14-3-3[zeta]-LKB1 fusion protein | Descriptor: | 14-3-3 protein zeta/delta,GGSGGS linker,Serine/threonine-protein kinase STK11, GLYCEROL, PROPANE, ... | Authors: | Ding, S, Shi, Z.B. | Deposit date: | 2015-04-18 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.899 Å) | Cite: | Structure of the 14-3-3 zeta-LKB1 fusion protein provides insight into a novel ligand-binding mode of 14-3-3. Acta Crystallogr.,Sect.F, 71, 2015
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5HPY
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![BU of 5hpy by Molmil](/molmil-images/mine/5hpy) | Crystal Structure of RhoA.GDP.MgF3-in complex with human Myosin 9b RhoGAP domain | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, TRIFLUOROMAGNESATE, ... | Authors: | Yi, F.S, Ren, J.Q, Feng, W. | Deposit date: | 2016-01-21 | Release date: | 2016-07-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Noncanonical Myo9b-RhoGAP Accelerates RhoA GTP Hydrolysis by a Dual-Arginine-Finger Mechanism J.Mol.Biol., 428, 2016
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2Z9O
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![BU of 2z9o by Molmil](/molmil-images/mine/2z9o) | |
3I60
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![BU of 3i60 by Molmil](/molmil-images/mine/3i60) | |
1Q21
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![BU of 1q21 by Molmil](/molmil-images/mine/1q21) | |
1NY5
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![BU of 1ny5 by Molmil](/molmil-images/mine/1ny5) | Crystal structure of sigm54 activator (AAA+ ATPase) in the inactive state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Lee, S.Y, de la Torre, A, Kustu, S, Nixon, B.T, Wemmer, D.E. | Deposit date: | 2003-02-11 | Release date: | 2003-11-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Regulation of the transcriptional activator NtrC1: structural studies of the regulatory and AAA+ ATPase domains Genes Dev., 17, 2003
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3P7B
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![BU of 3p7b by Molmil](/molmil-images/mine/3p7b) | p38 inhibitor-bound | Descriptor: | 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Moffett, K.K, Namboodiri, H. | Deposit date: | 2010-10-12 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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3P7A
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![BU of 3p7a by Molmil](/molmil-images/mine/3p7a) | p38 inhibitor-bound | Descriptor: | 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Moffett, K.K, Namboodiri, H. | Deposit date: | 2010-10-12 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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3P8O
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![BU of 3p8o by Molmil](/molmil-images/mine/3p8o) | Crystal structure of HCV NS3/NS4A protease complexed with des-bromine analogue of BI 201335 | Descriptor: | HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide, ... | Authors: | Lemke, C.T. | Deposit date: | 2010-10-14 | Release date: | 2011-01-26 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335. J.Biol.Chem., 286, 2011
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7RQZ
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![BU of 7rqz by Molmil](/molmil-images/mine/7rqz) | Cryo-EM structure of the full-length TRPV1 with RTx at 48 degrees Celsius, in an open state, class alpha | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
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7RQY
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![BU of 7rqy by Molmil](/molmil-images/mine/7rqy) | Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an open state, class B | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
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7RQX
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![BU of 7rqx by Molmil](/molmil-images/mine/7rqx) | Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an intermediate-open state, class A | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
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7RQU
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![BU of 7rqu by Molmil](/molmil-images/mine/7rqu) | Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in a closed state, class I | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, SODIUM ION, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
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7RQW
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![BU of 7rqw by Molmil](/molmil-images/mine/7rqw) | Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an open state, class III | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
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7RQV
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![BU of 7rqv by Molmil](/molmil-images/mine/7rqv) | Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an intermediate-closed state, class II | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
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8E9F
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![BU of 8e9f by Molmil](/molmil-images/mine/8e9f) | |