4Z3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z3n by Molmil](/molmil-images/mine/4z3n) | |
3D3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3d3x by Molmil](/molmil-images/mine/3d3x) | |
2IFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ife by Molmil](/molmil-images/mine/2ife) | |
4GR8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gr8 by Molmil](/molmil-images/mine/4gr8) | Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C | 分子名称: | CALCIUM ION, IMIDAZOLE, Macrophage metalloelastase, ... | 著者 | Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V. | 登録日 | 2012-08-24 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.299 Å) | 主引用文献 | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J.Med.Chem., 56, 2013
|
|
2OSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2osx by Molmil](/molmil-images/mine/2osx) | Endo-glycoceramidase II from Rhodococcus sp.: Ganglioside GM3 Complex | 分子名称: | Endoglycoceramidase II, GLYCEROL, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | 著者 | Caines, M.E.C, Strynadka, N.C.J. | 登録日 | 2007-02-06 | 公開日 | 2007-02-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural and Mechanistic Analyses of endo-Glycoceramidase II, a Membrane-associated Family 5 Glycosidase in the Apo and GM3 Ganglioside-bound Forms. J.Biol.Chem., 282, 2007
|
|
3DZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dz4 by Molmil](/molmil-images/mine/3dz4) | Human AdoMetDC with 5'-[(2-carboxamidoethyl)methylamino]-5'-deoxy-8-methyladenosine | 分子名称: | 1,4-DIAMINOBUTANE, 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid e, S-adenosylmethionine decarboxylase alpha chain, ... | 著者 | Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E. | 登録日 | 2008-07-29 | 公開日 | 2009-03-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine J.Med.Chem., 52, 2009
|
|
3ZT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zt2 by Molmil](/molmil-images/mine/3zt2) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | 分子名称: | 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETATE ION, INTEGRASE, ... | 著者 | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | 登録日 | 2011-07-01 | 公開日 | 2012-07-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
|
|
3ZT4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zt4 by Molmil](/molmil-images/mine/3zt4) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | 分子名称: | 1,2-ETHANEDIOL, 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ... | 著者 | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C, Deadman, J.J. | 登録日 | 2011-07-01 | 公開日 | 2012-07-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design Plos One, 7, 2012
|
|
3ZT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zt3 by Molmil](/molmil-images/mine/3zt3) | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | 分子名称: | 1,2-ETHANEDIOL, 5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ... | 著者 | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | 登録日 | 2011-07-01 | 公開日 | 2012-07-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
|
|
7L4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l4l by Molmil](/molmil-images/mine/7l4l) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, SODIUM ION, ... | 著者 | Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P. | 登録日 | 2020-12-19 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases Acs Catalysis, 11, 2021
|
|
3FFZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ffz by Molmil](/molmil-images/mine/3ffz) | Domain organization in Clostridium butulinum neurotoxin type E is unique: Its implication in faster translocation | 分子名称: | ACETATE ION, Botulinum neurotoxin type E, SODIUM ION, ... | 著者 | Kumaran, D, Eswaramoorthy, S, Swaminathan, S. | 登録日 | 2008-12-04 | 公開日 | 2008-12-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Domain organization in Clostridium botulinum neurotoxin type E is unique: its implication in faster translocation. J.Mol.Biol., 386, 2009
|
|
4GSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gsx by Molmil](/molmil-images/mine/4gsx) | High resolution structure of dengue virus serotype 1 sE containing stem | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ... | 著者 | Klein, D.E, Choi, J.L, Harrison, S.C. | 登録日 | 2012-08-28 | 公開日 | 2012-12-19 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.903 Å) | 主引用文献 | Structure of a dengue virus envelope protein late-stage fusion intermediate. J.Virol., 87, 2013
|
|
5AQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5aq6 by Molmil](/molmil-images/mine/5aq6) | Structure of E. coli ZinT at 1.79 Angstrom | 分子名称: | ACETIC ACID, METAL-BINDING PROTEIN ZINT, ZINC ION | 著者 | Santo, P.E, Colaco, H.G, Matias, P, Vicente, J.B, Bandeiras, T.M. | 登録日 | 2015-09-21 | 公開日 | 2016-01-27 | 最終更新日 | 2019-10-23 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Roles of Escherichia Coli Zint in Cobalt, Mercury and Cadmium Resistance and Structural Insights Into the Metal Binding Mechanism Metallomics, 8, 2016
|
|
7KQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kq9 by Molmil](/molmil-images/mine/7kq9) | |
7KXC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kxc by Molmil](/molmil-images/mine/7kxc) | The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, sodium ion at the metal coordination site and benzimidazole (BZI) at the enzyme beta-site at 1.30 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | 分子名称: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J. | 登録日 | 2020-12-03 | 公開日 | 2021-12-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, sodium ion at the metal coordination site and benzimidazole (BZI) at the enzyme beta-site at 1.30 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
|
|
7KWV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kwv by Molmil](/molmil-images/mine/7kwv) | |
7KYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kyt by Molmil](/molmil-images/mine/7kyt) | The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and benzimidazole (BZI) at the enzyme beta-site at 1.35 Angstrom resolution | 分子名称: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J. | 登録日 | 2020-12-08 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and benzimidazole (BZI) at the enzyme beta-site at 1.35 Angstrom resolution. To be Published
|
|
7L03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l03 by Molmil](/molmil-images/mine/7l03) | |
5QIT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qit by Molmil](/molmil-images/mine/5qit) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102821 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(E)-(3-methylphenyl)methylidene]acetamide, ... | 著者 | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | 登録日 | 2018-08-10 | 公開日 | 2019-12-18 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
|
|
2WKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wkj by Molmil](/molmil-images/mine/2wkj) | Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate at 1.45A resolution in space group P212121 | 分子名称: | N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID | 著者 | Campeotto, I, Carr, S.B, Trinh, C.H, Nelson, A.S, Berry, A, Phillips, S.E.V, Pearson, A.R. | 登録日 | 2009-06-11 | 公開日 | 2009-12-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure of an Escherichia coli N-acetyl-D-neuraminic acid lyase mutant, E192N, in complex with pyruvate at 1.45 angstrom resolution. Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 65, 2009
|
|
2V42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v42 by Molmil](/molmil-images/mine/2v42) | |
1GKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gks by Molmil](/molmil-images/mine/1gks) | ECTOTHIORHODOSPIRA HALOPHILA CYTOCHROME C551 (REDUCED), NMR, 37 STRUCTURES | 分子名称: | CYTOCHROME C551, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Bersch, B, Blackledge, M.J, Meyer, T.E, Marion, D. | 登録日 | 1996-07-16 | 公開日 | 1997-01-27 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Ectothiorhodospira halophila ferrocytochrome c551: solution structure and comparison with bacterial cytochromes c. J.Mol.Biol., 264, 1996
|
|
4N7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n7u by Molmil](/molmil-images/mine/4n7u) | |
7L1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l1h by Molmil](/molmil-images/mine/7l1h) | |
7LC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lc3 by Molmil](/molmil-images/mine/7lc3) | CryoEM Structure of KdpFABC in E1-ATP state | 分子名称: | (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L. | 登録日 | 2021-01-09 | 公開日 | 2021-01-27 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | 主引用文献 | Structural basis for potassium transport in prokaryotes by KdpFABC. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|