6ZEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zex by Molmil](/molmil-images/mine/6zex) | Keap1 kelch domain bound to a small molecule fragment | 分子名称: | 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1 | 著者 | Narayanan, D, Bach, A, Gajhede, M. | 登録日 | 2020-06-16 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
|
|
6ZNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6znw by Molmil](/molmil-images/mine/6znw) | |
8CD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cd8 by Molmil](/molmil-images/mine/8cd8) | Ulilysin - C269A with AEBSF complex | 分子名称: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CALCIUM ION, GLY-SER-SER, ... | 著者 | Rodriguez-Banqueri, A, Eckhard, U, Gomis-Ruth, F.X. | 登録日 | 2023-01-30 | 公開日 | 2023-03-22 | 最終更新日 | 2023-03-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases. Dalton Trans, 52, 2023
|
|
8CGA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cga by Molmil](/molmil-images/mine/8cga) | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant | 分子名称: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | 著者 | Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G. | 登録日 | 2023-02-03 | 公開日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant To Be Published
|
|
6Z2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z2h by Molmil](/molmil-images/mine/6z2h) | |
8C3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c3p by Molmil](/molmil-images/mine/8c3p) | |
8C4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c4w by Molmil](/molmil-images/mine/8c4w) | Crystal structure of rat autotaxin and compound MEY-002 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one, 7alpha-hydroxycholesterol, ... | 著者 | Eymery, M.C, McCarthy, A.A. | 登録日 | 2023-01-05 | 公開日 | 2023-11-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
|
|
8C3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c3o by Molmil](/molmil-images/mine/8c3o) | Crystal structure of autotaxin gamma and compound MEY-003 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | 著者 | Eymery, M.C, McCarthy, A.A. | 登録日 | 2022-12-27 | 公開日 | 2023-11-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
|
|
8C7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c7r by Molmil](/molmil-images/mine/8c7r) | Crystal structure of rat autotaxin and compound MEY-003 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | 著者 | Eymery, M.C, McCarthy, A.A. | 登録日 | 2023-01-17 | 公開日 | 2023-11-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263, 2023
|
|
8C3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c3t by Molmil](/molmil-images/mine/8c3t) | |
8D86
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d86 by Molmil](/molmil-images/mine/8d86) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence co-crystallized with a guest small molecule, netropsin. | 分子名称: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ... | 著者 | Orun, A.R, Snow, C.D. | 登録日 | 2022-06-07 | 公開日 | 2023-06-28 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | 主引用文献 | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
|
|
8D8M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d8m by Molmil](/molmil-images/mine/8d8m) | |
7JY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7jy2 by Molmil](/molmil-images/mine/7jy2) | Z-DNA joint X-ray/Neutron | 分子名称: | Chains: A,B | 著者 | Harp, J.M, Coates, L, Egli, M. | 登録日 | 2020-08-28 | 公開日 | 2021-04-28 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | 主引用文献 | Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography. Nucleic Acids Res., 49, 2021
|
|
6QIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qix by Molmil](/molmil-images/mine/6qix) | The crystal structure of Trichuris muris p43 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | 著者 | Levy, C.W. | 登録日 | 2019-01-21 | 公開日 | 2019-06-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function. Nat Commun, 10, 2019
|
|
5KAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kaf by Molmil](/molmil-images/mine/5kaf) | RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2016-06-01 | 公開日 | 2016-11-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.00001 Å) | 主引用文献 | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
|
|
5KAI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kai by Molmil](/molmil-images/mine/5kai) | NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2016-06-01 | 公開日 | 2016-11-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.80000925 Å) | 主引用文献 | Structure of photosystem II and substrate binding at room temperature. Nature, 540, 2016
|
|
8RZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rze by Molmil](/molmil-images/mine/8rze) | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 10 | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-pyridin-3-yl-benzoic acid, ... | 著者 | Kalnins, G. | 登録日 | 2024-02-12 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 10 To Be Published
|
|
8RZC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rzc by Molmil](/molmil-images/mine/8rzc) | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11 | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-imidazol-1-yl-benzoic acid, ... | 著者 | Kalnins, G. | 登録日 | 2024-02-12 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11 To Be Published
|
|
8RZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rzd by Molmil](/molmil-images/mine/8rzd) | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9 | 分子名称: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-hydroxyphenyl)benzoic acid, ... | 著者 | Kalnins, G. | 登録日 | 2024-02-12 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9 To Be Published
|
|
8QU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qu3 by Molmil](/molmil-images/mine/8qu3) | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ... | 著者 | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | 登録日 | 2023-10-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
|
|
8QU2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qu2 by Molmil](/molmil-images/mine/8qu2) | NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ... | 著者 | Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | 登録日 | 2023-10-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
|
|
8QU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qu4 by Molmil](/molmil-images/mine/8qu4) | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ... | 著者 | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | 登録日 | 2023-10-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
|
|
8SBH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sbh by Molmil](/molmil-images/mine/8sbh) | YeiE effector binding domain from E. coli | 分子名称: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | 著者 | Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E. | 登録日 | 2023-04-03 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms To Be Published
|
|
8RUU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ruu by Molmil](/molmil-images/mine/8ruu) | Fabs derived from bimekizumab in complex with IL-17F | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin heavy chain, Immunoblobulin light chain, ... | 著者 | Adams, R, Lawson, A.D.G. | 登録日 | 2024-01-31 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Crystal Structure of Bimekizumab Fab Fragment in Complex with IL-17F Provides Molecular Basis for Dual IL-17A and IL-17F Inhibition. J Invest Dermatol., 2024
|
|
2RIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rik by Molmil](/molmil-images/mine/2rik) | I-band fragment I67-I69 from titin | 分子名称: | Titin | 著者 | Marino, M, von Castelmur, E, Labeit, D, Labeit, S, Mayans, O. | 登録日 | 2007-10-11 | 公開日 | 2008-01-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A regular pattern of Ig super-motifs defines segmental flexibility as the elastic mechanism of the titin chain Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|