4MZ1
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![BU of 4mz1 by Molmil](/molmil-images/mine/4mz1) | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound P12 | 分子名称: | 1-(4-bromophenyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea, ACETIC ACID, INOSINIC ACID, ... | 著者 | Kim, Y, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2013-09-28 | 公開日 | 2014-01-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3991 Å) | 主引用文献 | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Campylobacter jejuni complexed with inhibitor compound P12 To be Published, 2013
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4N7L
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4N8D
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![BU of 4n8d by Molmil](/molmil-images/mine/4n8d) | DPP4 complexed with syn-7aa | 分子名称: | 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | 著者 | Ostermann, N, Zink, F, Kroemer, M. | 登録日 | 2013-10-17 | 公開日 | 2014-02-12 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV. Bioorg.Med.Chem.Lett., 24, 2014
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4KT8
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![BU of 4kt8 by Molmil](/molmil-images/mine/4kt8) | The complex structure of Rv3378c-Y51FY90F with substrate, TPP | 分子名称: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | 著者 | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | 登録日 | 2013-05-20 | 公開日 | 2014-02-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
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4KRM
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4N7K
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![BU of 4n7k by Molmil](/molmil-images/mine/4n7k) | Zinc Substituted Reaction Center of the Rhodobacter sphaeroides | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, FE (III) ION, ... | 著者 | Hardjasa, A, Murphy, M.E.P. | 登録日 | 2013-10-15 | 公開日 | 2014-02-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structural and kinetic properties of Rhodobacter sphaeroides photosynthetic reaction centers containing exclusively Zn-coordinated bacteriochlorophyll as bacteriochlorin cofactors. Biochim.Biophys.Acta, 1837, 2013
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4NKW
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4KRO
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4KOY
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![BU of 4koy by Molmil](/molmil-images/mine/4koy) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cephalosporin C | 分子名称: | 1,2-ETHANEDIOL, 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM, SULFATE ION, ... | 著者 | Majorek, K.A, Porebski, P.J, Chruszcz, M, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2013-05-12 | 公開日 | 2013-06-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA. J.Biol.Chem., 288, 2013
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4NKZ
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![BU of 4nkz by Molmil](/molmil-images/mine/4nkz) | Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxypregnenolone | 分子名称: | (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | 著者 | Scott, E.E, Petrunak, E.M. | 登録日 | 2013-11-13 | 公開日 | 2014-10-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | 主引用文献 | Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates. J.Biol.Chem., 289, 2014
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4NTO
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![BU of 4nto by Molmil](/molmil-images/mine/4nto) | Crystal structure of D60A mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C2 ceramide-1-phosphate (d18:1/2:0) at 2.15 Angstrom resolution | 分子名称: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, DI(HYDROXYETHYL)ETHER, accelerated-cell-death 11 | 著者 | Simanshu, D.K, Brown, R.E, Patel, D.J. | 登録日 | 2013-12-02 | 公開日 | 2014-02-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels. Cell Rep, 6, 2014
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4NTK
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![BU of 4ntk by Molmil](/molmil-images/mine/4ntk) | QueD from E. coli | 分子名称: | 2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one, 6-carboxy-5,6,7,8-tetrahydropterin synthase, ACETATE ION, ... | 著者 | Bandarian, V, Roberts, S.A, Miles, Z.D. | 登録日 | 2013-12-02 | 公開日 | 2014-07-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Biochemical and Structural Studies of 6-Carboxy-5,6,7,8-tetrahydropterin Synthase Reveal the Molecular Basis of Catalytic Promiscuity within the Tunnel-fold Superfamily. J.Biol.Chem., 289, 2014
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4NT2
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![BU of 4nt2 by Molmil](/molmil-images/mine/4nt2) | Crystal structure of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with lyso-sphingomyelin (d18:1) at 2.4 Angstrom resolution | 分子名称: | 1,2-ETHANEDIOL, 2-{[(R)-{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium, SULFATE ION, ... | 著者 | Simanshu, D.K, Brown, R.E, Patel, D.J. | 登録日 | 2013-11-29 | 公開日 | 2014-02-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.403 Å) | 主引用文献 | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels. Cell Rep, 6, 2014
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4NTI
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![BU of 4nti by Molmil](/molmil-images/mine/4nti) | Crystal structure of D60N mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C12 ceramide-1-phosphate (d18:1/12:0) at 2.9 Angstrom resolution | 分子名称: | (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, DI(HYDROXYETHYL)ETHER, accelerated-cell-death 11 | 著者 | Simanshu, D.K, Brown, R.E, Patel, D.J. | 登録日 | 2013-12-02 | 公開日 | 2014-02-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.899 Å) | 主引用文献 | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels. Cell Rep, 6, 2014
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6HUG
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![BU of 6hug by Molmil](/molmil-images/mine/6hug) | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with picrotoxin and megabody Mb38. | 分子名称: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | 著者 | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | 登録日 | 2018-10-08 | 公開日 | 2019-01-02 | 最終更新日 | 2022-03-30 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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6HOP
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6HUJ
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![BU of 6huj by Molmil](/molmil-images/mine/6huj) | CryoEM structure of human full-length heteromeric alpha1beta3gamma2L GABA(A)R in complex with picrotoxin, GABA and megabody Mb38. | 分子名称: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | 著者 | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | 登録日 | 2018-10-08 | 公開日 | 2019-01-02 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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7MTU
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![BU of 7mtu by Molmil](/molmil-images/mine/7mtu) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221 | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, INOSINIC ACID, ... | 著者 | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-05-13 | 公開日 | 2021-06-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P221 To Be Published
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7MTX
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![BU of 7mtx by Molmil](/molmil-images/mine/7mtx) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P176 | 分子名称: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine, ... | 著者 | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-05-13 | 公開日 | 2021-06-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P176 To Be Published
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5HWH
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7MC9
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![BU of 7mc9 by Molmil](/molmil-images/mine/7mc9) | X-RAY STRUCTURE OF PEDV PAPAIN-LIKE PROTEASE 2 bound to UB-PA | 分子名称: | 3C-like proteinase, Ubiquitin, ZINC ION, ... | 著者 | Durie, I.A, Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D. | 登録日 | 2021-04-01 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.099 Å) | 主引用文献 | Structural insights into the interaction of papain-like protease 2 from the alphacoronavirus porcine epidemic diarrhea virus and ubiquitin Acta Cryst. D, 77, 2021
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7MGY
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![BU of 7mgy by Molmil](/molmil-images/mine/7mgy) | Sco GlgEI-V279S in complex with 4-alpha-glucoside of valienamine | 分子名称: | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER, ... | 著者 | Jayasinghe, T.D, Ronning, D.R. | 登録日 | 2021-04-13 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Stereoselective synthesis of a 4-⍺-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S. Sci Rep, 11, 2021
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7MLM
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![BU of 7mlm by Molmil](/molmil-images/mine/7mlm) | Crystal structure of mouse TLR4/MD-2 in complex with sulfatides | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Su, L, Beutler, B. | 登録日 | 2021-04-28 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | 主引用文献 | Sulfatides are endogenous ligands for the TLR4-MD-2 complex. Proc.Natl.Acad.Sci.USA, 118, 2021
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3QO9
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![BU of 3qo9 by Molmil](/molmil-images/mine/3qo9) | Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with TSAO-T, a non-nucleoside RT inhibitor (NNRTI) | 分子名称: | 1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, Reverse transcriptase/ ribonuclease H, p51 RT | 著者 | Das, K, Arnold, E. | 登録日 | 2011-02-09 | 公開日 | 2011-05-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of tert-Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic Limits of the Non-nucleoside Inhibitor-Binding Pocket. J.Med.Chem., 54, 2011
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6OBA
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![BU of 6oba by Molmil](/molmil-images/mine/6oba) | The beta2 adrenergic receptor bound to a negative allosteric modulator | 分子名称: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ... | 著者 | Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K. | 登録日 | 2019-03-20 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor. Nat.Chem.Biol., 16, 2020
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