2K5L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2k5l by Molmil](/molmil-images/mine/2k5l) | Solution NMR Structure of Protein FeoA from Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR17 | Descriptor: | FeoA | Authors: | Zeri, A, Singarapu, K.K, Mills, J.L, Wu, Y, Garcia, E, Wang, H, Jiang, M, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-06-29 | Release date: | 2008-09-02 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Protein FeoA from
Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR17 To be Published
|
|
2LNU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lnu by Molmil](/molmil-images/mine/2lnu) | Solution NMR Structure of the uncharacterized protein from gene locus rrnAC0354 of Haloarcula marismortui, Northeast Structural Genomics Consortium Target HmR11 | Descriptor: | Uncharacterized protein | Authors: | Rossi, P, Liu, G, Lange, O.F, Lee, H, Janjua, H, Ciccosanti, C, Wang, H, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-01-05 | Release date: | 2012-01-18 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4CPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cpx by Molmil](/molmil-images/mine/4cpx) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[3-[(3~{R},6~{S},10~{Z})-3-oxidanyl-4,7-bis(oxidanylidene)-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(16),10,13(17),14-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis of P1'-functionalized macrocyclic transition-state mimicking HIV-1 protease inhibitors encompassing a tertiary alcohol. J. Med. Chem., 57, 2014
|
|
4CPR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cpr by Molmil](/molmil-images/mine/4cpr) | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | Descriptor: | CHLORIDE ION, PROTEASE, methyl ~{N}-[(2~{S})-3,3-dimethyl-1-[2-[(4~{R})-5-[[(2~{S})-3-methyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-[(4-prop-2-enylphenyl)methyl]pentyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-1-oxidanylidene-butan-2-yl]carbamate | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | Deposit date: | 2014-02-08 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol. J.Med.Chem., 57, 2014
|
|
3AZJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3azj by Molmil](/molmil-images/mine/3azj) | Crystal Structure of Human Nucleosome Core Particle Containing H4K44Q mutation | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | Deposit date: | 2011-05-25 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry, 50, 2011
|
|
3AZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3azk by Molmil](/molmil-images/mine/3azk) | Crystal Structure of Human Nucleosome Core Particle Containing H4K59Q mutation | Descriptor: | 146-MER DNA, CHLORIDE ION, Histone H2A type 1-B/E, ... | Authors: | Iwasaki, W, Tachiwana, H, Kawaguchi, K, Shibata, T, Kagawa, W, Kurumizaka, H. | Deposit date: | 2011-05-25 | Release date: | 2011-09-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Comprehensive Structural Analysis of Mutant Nucleosomes Containing Lysine to Glutamine (KQ) Substitutions in the H3 and H4 Histone-Fold Domains Biochemistry, 50, 2011
|
|
7VP8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vp8 by Molmil](/molmil-images/mine/7vp8) | Crystal structure of ferritin from Ureaplasma urealyticum | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin-like diiron domain-containing protein | Authors: | Wang, W, Liu, X, Wang, Y, Fu, D, Wang, H. | Deposit date: | 2021-10-15 | Release date: | 2022-08-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Distinct structural characteristics define a new subfamily of Mycoplasma ferritin Chin.Chem.Lett., 33, 2022
|
|
7WJ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wj6 by Molmil](/molmil-images/mine/7wj6) | |
7XZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xz4 by Molmil](/molmil-images/mine/7xz4) | |
7WLF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wlf by Molmil](/molmil-images/mine/7wlf) | Crystal structure of the HSA Fe complex | Descriptor: | 1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Bai, H.H, Xie, L.L, Wang, W.M, Wang, H.F. | Deposit date: | 2022-01-13 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the HSA Fe complex To be published
|
|
4LFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lfu by Molmil](/molmil-images/mine/4lfu) | Crystal structure of Escherichia coli SdiA in the space group C2 | Descriptor: | CHLORIDE ION, Regulatory protein SdiA, TETRAETHYLENE GLYCOL | Authors: | Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K. | Deposit date: | 2013-06-27 | Release date: | 2014-03-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor Acta Crystallogr.,Sect.D, 70, 2014
|
|
3APM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3apm by Molmil](/molmil-images/mine/3apm) | Crystal structure of the human SNP PAD4 protein | Descriptor: | Protein-arginine deiminase type-4 | Authors: | Horikoshi, N, Tachiwana, H, Saito, K, Osakabe, A, Sato, M, Yamada, M, Akashi, S, Nishimura, Y, Kagawa, W, Kurumizaka, H. | Deposit date: | 2010-10-19 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and biochemical analyses of the human PAD4 variant encoded by a functional haplotype gene Acta Crystallogr.,Sect.D, 67, 2011
|
|
3APN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3apn by Molmil](/molmil-images/mine/3apn) | Crystal structure of the human wild-type PAD4 protein | Descriptor: | Protein-arginine deiminase type-4 | Authors: | Horikoshi, N, Tachiwana, H, Saito, K, Osakabe, A, Sato, M, Yamada, M, Akashi, S, Nishimura, Y, Kagawa, W, Kurumizaka, H. | Deposit date: | 2010-10-19 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and biochemical analyses of the human PAD4 variant encoded by a functional haplotype gene Acta Crystallogr.,Sect.D, 67, 2011
|
|
4LGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lgw by Molmil](/molmil-images/mine/4lgw) | Crystal structure of Escherichia coli SdiA in the space group P6522 | Descriptor: | GLYCEROL, Regulatory protein SdiA | Authors: | Kim, T, Duong, T, Wu, C.A, Choi, J, Lan, N, Kang, S.W, Lokanath, N.K, Shin, D, Hwang, H.Y, Kim, K.K. | Deposit date: | 2013-06-28 | Release date: | 2014-03-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural insights into the molecular mechanism of Escherichia coli SdiA, a quorum-sensing receptor Acta Crystallogr.,Sect.D, 70, 2014
|
|
7WC5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc5 by Molmil](/molmil-images/mine/7wc5) | Crystal structure of serotonin 2A receptor in complex with psilocin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2A, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
7WJ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wj7 by Molmil](/molmil-images/mine/7wj7) | |
1L1J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l1j by Molmil](/molmil-images/mine/1l1j) | Crystal structure of the protease domain of an ATP-independent heat shock protease HtrA | Descriptor: | heat shock protease HtrA | Authors: | Kim, D.Y, Kim, D.R, Ha, S.C, Lokanath, N.K, Hwang, H.Y, Kim, K.K. | Deposit date: | 2002-02-18 | Release date: | 2003-04-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Protease Domain of a Heat-shock Protein HtrA from Thermotoga maritima J.BIOL.CHEM., 278, 2003
|
|
3VG9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vg9 by Molmil](/molmil-images/mine/3vg9) | Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 2.7 A resolution | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Hino, T, Arakawa, T, Iwanari, H, Yurugi-Kobayashi, T, Ikeda-Suno, C, Nakada-Nakura, Y, Kusano-Arai, O, Weyand, S, Shimamura, T, Nomura, N, Cameron, A.D, Kobayashi, T, Hamakubo, T, Iwata, S, Murata, T. | Deposit date: | 2011-08-04 | Release date: | 2012-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | G-protein-coupled receptor inactivation by an allosteric inverse-agonist antibody Nature, 482, 2012
|
|
6JLS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jls by Molmil](/molmil-images/mine/6jls) | Crystal Structure of FMN-dependent Cysteine Decarboxylases TvaF from Thioviridamide Biosynthesis | Descriptor: | FLAVIN MONONUCLEOTIDE, Putative flavoprotein decarboxylase | Authors: | Li, J, Lu, J, Wang, H, Zhu, J. | Deposit date: | 2019-03-06 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Characterization of the FMN-Dependent Cysteine Decarboxylase from Thioviridamide Biosynthesis. Org.Lett., 21, 2019
|
|
6K81
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k81 by Molmil](/molmil-images/mine/6k81) | Crystal structure of human VASH1-SVBP complex | Descriptor: | Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | Authors: | Liu, X, Wang, H, Zhang, Y, Feng, Y. | Deposit date: | 2019-06-11 | Release date: | 2020-02-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural insights into tubulin detyrosination by vasohibins-SVBP complex. Cell Discov, 5, 2019
|
|
7WC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc6 by Molmil](/molmil-images/mine/7wc6) | Crystal structure of serotonin 2A receptor in complex with LSD | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
7WC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc9 by Molmil](/molmil-images/mine/7wc9) | Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic psychedelic analog | Descriptor: | (10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
7WC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc7 by Molmil](/molmil-images/mine/7wc7) | Crystal structure of serotonin 2A receptor in complex with lisuride | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
7WC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc4 by Molmil](/molmil-images/mine/7wc4) | Crystal structure of serotonin 2A receptor in complex with serotonin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|
7WC8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wc8 by Molmil](/molmil-images/mine/7wc8) | Crystal structure of serotonin 2A receptor in complex with lumateperone | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(10~{R},15~{S})-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | Deposit date: | 2021-12-18 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-based discovery of nonhallucinogenic psychedelic analogs. Science, 375, 2022
|
|