4HDP
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![BU of 4hdp by Molmil](/molmil-images/mine/4hdp) | Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519 | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ... | 著者 | Shen, C.H, Zhang, H, Weber, I.T. | 登録日 | 2012-10-02 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56, 2013
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6HQ2
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6ISW
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![BU of 6isw by Molmil](/molmil-images/mine/6isw) | Structure of human telomeric DNA with 5-selenophene-modified deoxyuridine at residue 12 | 分子名称: | DNA (22-MER), POTASSIUM ION | 著者 | Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I. | 登録日 | 2018-11-19 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe. Nucleic Acids Res., 47, 2019
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6HQF
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![BU of 6hqf by Molmil](/molmil-images/mine/6hqf) | Structure of Phenylalanine ammonia-lyase from Petroselinum crispum in complex with (R)-APEP | 分子名称: | Phenylalanine ammonia-lyase 1, [(1R)-1-amino-2-phenylethyl]phosphonic acid | 著者 | Bata, Z, Molnar, B, Leveles, I, Poppe, L, Vertessy, G.B. | 登録日 | 2018-09-24 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Substrate Tunnel Engineering Aided by X-ray Crystallography and Functional Dynamics Swaps the Function of MIO-Enzymes Acs Catalysis, 2021
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4K3H
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![BU of 4k3h by Molmil](/molmil-images/mine/4k3h) | Immunoglobulin lambda variable domain L5(L89S) fluorogen activationg protein in complex with malachite green | 分子名称: | 4-{bis[4-(dimethylamino)phenyl]methyl}phenol, GLYCEROL, Immunoglobulin lambda variable domain L5(L89S), ... | 著者 | Stanfield, R.L, Szent-Gyorgyi, C, Wilson, I.A. | 登録日 | 2013-04-10 | 公開日 | 2013-10-09 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Malachite Green Mediates Homodimerization of Antibody VL Domains to Form a Fluorescent Ternary Complex with Singular Symmetric Interfaces. J.Mol.Biol., 425, 2013
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4GSL
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![BU of 4gsl by Molmil](/molmil-images/mine/4gsl) | Crystal structure of an Atg7-Atg3 crosslinked complex | 分子名称: | Autophagy-related protein 3, Ubiquitin-like modifier-activating enzyme ATG7, ZINC ION | 著者 | Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A. | 登録日 | 2012-08-27 | 公開日 | 2012-11-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | 主引用文献 | Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures. Nat.Struct.Mol.Biol., 19, 2012
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1USD
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![BU of 1usd by Molmil](/molmil-images/mine/1usd) | human VASP tetramerisation domain L352M | 分子名称: | VASODILATOR-STIMULATED PHOSPHOPROTEIN | 著者 | Kuhnel, K, Jarchau, T, Wolf, E, Schlichting, I, Walter, U, Wittinghofer, A, Strelkov, S.V. | 登録日 | 2003-11-21 | 公開日 | 2004-11-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Vasp Tetramerization Domain is a Right-Handed Coiled Coil Based on a 15-Residue Repeat Proc.Natl.Acad.Sci.USA, 101, 2004
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1SEG
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![BU of 1seg by Molmil](/molmil-images/mine/1seg) | Crystal structure of a toxin chimera between Lqh-alpha-IT from the scorpion Leiurus quinquestriatus hebraeus and AAH2 from Androctonus australis hector | 分子名称: | AAH2: LQH-ALPHA-IT (FACE) CHIMERIC TOXIN, NITRATE ION, PROPANOIC ACID, ... | 著者 | Karbat, I, Frolow, F, Froy, O, Gilles, N, Cohen, L, Turkov, M, Gordon, D, Gurevitz, M. | 登録日 | 2004-02-17 | 公開日 | 2004-08-31 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Molecular basis of the high insecticidal potency of scorpion alpha-toxins. J.Biol.Chem., 279, 2004
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1USE
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![BU of 1use by Molmil](/molmil-images/mine/1use) | human VASP tetramerisation domain | 分子名称: | VASODILATOR-STIMULATED PHOSPHOPROTEIN | 著者 | Kuhnel, K, Jarchau, T, Wolf, E, Schlichting, I, Walter, U, Wittinghofer, A, Strelkov, S.V. | 登録日 | 2003-11-21 | 公開日 | 2004-11-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The Vasp Tetramerization Domain is a Right-Handed Coiled Coil Based on a 15-Residue Repeat Proc.Natl.Acad.Sci.USA, 101, 2004
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1UUD
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![BU of 1uud by Molmil](/molmil-images/mine/1uud) | NMR structure of a synthetic small molecule, rbt203, bound to HIV-1 TAR RNA | 分子名称: | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE, RNA (5'-(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP *CP*CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*UP*CP*UP*GP*CP*C) -3') | 著者 | Davis, B, Afshar, M, Varani, G, Karn, J, Murchie, A.I.H, Lentzen, G, Drysdale, M.J, Potter, A.J, Bower, J, Aboul-Ela, F. | 登録日 | 2003-12-18 | 公開日 | 2004-03-15 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Rational Design of Inhibitors of HIV-1 Tar RNA Through the Stabilisation of Electrostatic "Hot Spots" J.Mol.Biol., 336, 2004
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3NUO
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4GXQ
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![BU of 4gxq by Molmil](/molmil-images/mine/4gxq) | Crystal Structure of ATP bound RpMatB-BxBclM chimera B1 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | 著者 | Rank, K.C, Crosby, H.A, Escalante-Semerena, J.C, Rayment, I. | 登録日 | 2012-09-04 | 公開日 | 2012-10-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Insights into the Substrate Specificity of the Rhodopseudomonas palustris Protein Acetyltransferase RpPat: IDENTIFICATION OF A LOOP CRITICAL FOR RECOGNITION BY RpPat. J.Biol.Chem., 287, 2012
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4K90
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![BU of 4k90 by Molmil](/molmil-images/mine/4k90) | Extracellular metalloproteinase from Aspergillus | 分子名称: | BORIC ACID, CALCIUM ION, Extracellular metalloproteinase mep, ... | 著者 | Fernandez, D, Russi, S, Vendrell, J, Monod, M, Pallares, I. | 登録日 | 2013-04-19 | 公開日 | 2013-10-23 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A functional and structural study of the major metalloprotease secreted by the pathogenic fungus Aspergillus fumigatus. Acta Crystallogr.,Sect.D, 69, 2013
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4HE9
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![BU of 4he9 by Molmil](/molmil-images/mine/4he9) | Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519 | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 protease, ... | 著者 | Shen, C.H, Zhang, H, Weber, I.T. | 登録日 | 2012-10-03 | 公開日 | 2013-08-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. J.Med.Chem., 56, 2013
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6IP7
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![BU of 6ip7 by Molmil](/molmil-images/mine/6ip7) | Structure of human telomeric DNA with 5-Selenophene-modified deoxyuridine at residue 11 | 分子名称: | DNA (22-MER), POTASSIUM ION | 著者 | Saikrishnan, K, Nuthanakanti, A, Srivatsan, S.G, Ahmad, I. | 登録日 | 2018-11-02 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe. Nucleic Acids Res., 47, 2019
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5LOF
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![BU of 5lof by Molmil](/molmil-images/mine/5lof) | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | 著者 | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | 登録日 | 2016-08-09 | 公開日 | 2016-10-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models. Nature, 538, 2016
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5WBA
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![BU of 5wba by Molmil](/molmil-images/mine/5wba) | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins - WT | 分子名称: | ACETATE ION, COPPER (II) ION, SULFATE ION, ... | 著者 | Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S. | 登録日 | 2017-06-28 | 公開日 | 2017-11-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Peroxide Activation Regulated by Hydrogen Bonds within Artificial Cu Proteins. J. Am. Chem. Soc., 139, 2017
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6HN9
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![BU of 6hn9 by Molmil](/molmil-images/mine/6hn9) | Nicomicin-1 -- Novel antimicrobial peptides from the Arctic polychaeta Nicomache minor provide new molecular insight into biological role of the BRICHOS domain | 分子名称: | Nicomicin-1 | 著者 | Panteleev, P.V, Tsarev, A.V, Bolosov, I.A, Paramonov, A.S, Marggraf, M.B, Sychev, S.V, Shenkarev, Z.O, Ovchinnikova, T.V. | 登録日 | 2018-09-14 | 公開日 | 2018-11-07 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Novel Antimicrobial Peptides from the Arctic PolychaetaNicomache minorProvide New Molecular Insight into Biological Role of the BRICHOS Domain. Mar Drugs, 16, 2018
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6HYK
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![BU of 6hyk by Molmil](/molmil-images/mine/6hyk) | NMR solution structure of the C/D box snoRNA U14 | 分子名称: | RNA (31-MER) | 著者 | Chagot, M.E, Quinternet, M, Rothe, B, Charpentier, B, Coutant, J, Manival, X, Lebars, I. | 登録日 | 2018-10-22 | 公開日 | 2019-04-24 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | The yeast C/D box snoRNA U14 adopts a "weak" K-turn like conformation recognized by the Snu13 core protein in solution. Biochimie, 164, 2019
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3NU9
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8A4Y
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![BU of 8a4y by Molmil](/molmil-images/mine/8a4y) | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with N-(2,3-dihydro-1H-inden-5-yl)acetamide | 分子名称: | Host translation inhibitor nsp1, N-(2,3-dihydro-1H-inden-5-yl)acetamide | 著者 | Borsatto, A, Galdadas, I, Ma, S, Damfo, S, Haider, S, Kozielski, F, Estarellas, C, Gervasio, F.L. | 登録日 | 2022-06-13 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.099 Å) | 主引用文献 | Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other beta-coronaviruses by simulations and crystallography. Elife, 11, 2022
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4L28
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![BU of 4l28 by Molmil](/molmil-images/mine/4l28) | Crystal structure of delta516-525 human cystathionine beta-synthase D444N mutant containing C-terminal 6xHis tag | 分子名称: | Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE | 著者 | Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez, L.A. | 登録日 | 2013-06-04 | 公開日 | 2013-09-18 | 最終更新日 | 2013-10-16 | 実験手法 | X-RAY DIFFRACTION (2.626 Å) | 主引用文献 | Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration. Proc.Natl.Acad.Sci.USA, 110, 2013
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8A48
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![BU of 8a48 by Molmil](/molmil-images/mine/8a48) | Less crystallisable" IgG1 Fc fragment (E382S variant) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG1 Fc, ... | 著者 | Sudol, A.S.L, Tews, I, Crispin, M. | 登録日 | 2022-06-10 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.044 Å) | 主引用文献 | Extensive substrate recognition by the streptococcal antibody-degrading enzymes IdeS and EndoS. Nat Commun, 13, 2022
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6I6M
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![BU of 6i6m by Molmil](/molmil-images/mine/6i6m) | Papaver somniferum O-methyltransferase 1 | 分子名称: | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, O-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Cabry, M.P, Offen, W.A, Winzer, T, Li, Y, Graham, I.A, Davies, G.J, Saleh, P. | 登録日 | 2018-11-15 | 公開日 | 2019-03-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation Acs Catalysis, 2019
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1Y6N
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![BU of 1y6n by Molmil](/molmil-images/mine/1y6n) | Crystal structure of Epstein-Barr virus IL-10 mutant (A87I) complexed with the soluble IL-10R1 chain | 分子名称: | Interleukin-10 receptor alpha chain, Viral interleukin-10 homolog | 著者 | Yoon, S.I, Jones, B.C, Logsdon, N.J, Walter, M.R. | 登録日 | 2004-12-06 | 公開日 | 2005-05-03 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Same structure, different function crystal structure of the Epstein-Barr virus IL-10 bound to the soluble IL-10R1 chain. Structure, 13, 2005
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