7LDY
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![BU of 7ldy by Molmil](/molmil-images/mine/7ldy) | HIV-1 Protease WT (NL4-3) in Complex with TMC-126 | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2021-01-14 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.984 Å) | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LE0
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![BU of 7le0 by Molmil](/molmil-images/mine/7le0) | HIV-1 Protease WT (NL4-3) in Complex with a Darunavir Derivative | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2021-01-14 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.952 Å) | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LE1
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![BU of 7le1 by Molmil](/molmil-images/mine/7le1) | HIV-1 Protease WT (NL4-3) in Complex with UMass2 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2021-01-14 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LE2
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![BU of 7le2 by Molmil](/molmil-images/mine/7le2) | HIV-1 Protease WT (NL4-3) in Complex with UMass4 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2021-01-14 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.971 Å) | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7LDZ
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![BU of 7ldz by Molmil](/molmil-images/mine/7ldz) | HIV-1 Protease WT (NL4-3) in Complex with GRL-98065 | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2021-01-14 | 公開日 | 2022-07-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.861 Å) | 主引用文献 | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues To Be Published
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7DK0
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![BU of 7dk0 by Molmil](/molmil-images/mine/7dk0) | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ... | 著者 | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | 登録日 | 2020-11-22 | 公開日 | 2021-06-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.199 Å) | 主引用文献 | Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction. Commun Biol, 5, 2022
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7DJZ
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![BU of 7djz by Molmil](/molmil-images/mine/7djz) | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ... | 著者 | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | 登録日 | 2020-11-22 | 公開日 | 2021-06-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.397 Å) | 主引用文献 | Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction. Commun Biol, 5, 2022
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5JBT
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![BU of 5jbt by Molmil](/molmil-images/mine/5jbt) | Mesotrypsin in complex with cleaved amyloid precursor like protein 2 inhibitor (APLP2) | 分子名称: | Amyloid-like protein 2, CALCIUM ION, PRSS3 protein, ... | 著者 | Kayode, O, Wang, R, Pendlebury, D, Soares, A, Radisky, E.S. | 登録日 | 2016-04-13 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | An Acrobatic Substrate Metamorphosis Reveals a Requirement for Substrate Conformational Dynamics in Trypsin Proteolysis. J. Biol. Chem., 291, 2016
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7CHO
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![BU of 7cho by Molmil](/molmil-images/mine/7cho) | Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | 登録日 | 2020-07-06 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.561 Å) | 主引用文献 | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2. Nat Commun, 12, 2021
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7CHS
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![BU of 7chs by Molmil](/molmil-images/mine/7chs) | Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | 登録日 | 2020-07-06 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2. Nat Commun, 12, 2021
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7CHP
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![BU of 7chp by Molmil](/molmil-images/mine/7chp) | Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q. | 登録日 | 2020-07-06 | 公開日 | 2021-05-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.357 Å) | 主引用文献 | Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2. Nat Commun, 12, 2021
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4DQM
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![BU of 4dqm by Molmil](/molmil-images/mine/4dqm) | Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity | 分子名称: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha | 著者 | Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y. | 登録日 | 2012-02-16 | 公開日 | 2012-10-03 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells. Biochem.J., 446, 2012
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2BBY
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![BU of 2bby by Molmil](/molmil-images/mine/2bby) | DNA-BINDING DOMAIN FROM HUMAN RAP30, NMR, 30 STRUCTURES | 分子名称: | RAP30 | 著者 | Groft, C.M, Uljon, S.N, Wang, R, Werner, M.H. | 登録日 | 1998-04-27 | 公開日 | 1998-11-25 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural homology between the Rap30 DNA-binding domain and linker histone H5: implications for preinitiation complex assembly. Proc.Natl.Acad.Sci.USA, 95, 1998
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7DPM
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![BU of 7dpm by Molmil](/molmil-images/mine/7dpm) | Crystal structure of SARS-CoV-2 Spike RBD in complex with MW06 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | 著者 | Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M. | 登録日 | 2020-12-20 | 公開日 | 2021-02-17 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.304 Å) | 主引用文献 | Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV. Mabs, 13, 2021
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3OC3
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![BU of 3oc3 by Molmil](/molmil-images/mine/3oc3) | Crystal structure of the Mot1 N-terminal domain in complex with TBP | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HELICASE MOT1, TRANSCRIPTION INITIATION FACTOR TFIID (TFIID-1) | 著者 | Wollmann, P, Cui, S, Viswanathan, R, Berninghausen, O, Wells, M.N, Moldt, M, Witte, G, Butryn, A, Wendler, P, Beckmann, R, Auble, D.T, Hopfner, K.-P. | 登録日 | 2010-08-09 | 公開日 | 2011-07-13 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure and mechanism of the Swi2/Snf2 remodeller Mot1 in complex with its substrate TBP. Nature, 475, 2011
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1BBY
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![BU of 1bby by Molmil](/molmil-images/mine/1bby) | DNA-BINDING DOMAIN FROM HUMAN RAP30, NMR, MINIMIZED AVERAGE | 分子名称: | RAP30 | 著者 | Groft, C.M, Uljon, S.N, Wang, R, Werner, M.H. | 登録日 | 1998-04-26 | 公開日 | 1998-11-25 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural homology between the Rap30 DNA-binding domain and linker histone H5: implications for preinitiation complex assembly. Proc.Natl.Acad.Sci.USA, 95, 1998
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7CDI
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![BU of 7cdi by Molmil](/molmil-images/mine/7cdi) | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R. | 登録日 | 2020-06-19 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
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7CDJ
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![BU of 7cdj by Molmil](/molmil-images/mine/7cdj) | Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ... | 著者 | Wang, X, Zhang, L, Ge, J, Wang, R. | 登録日 | 2020-06-19 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.396 Å) | 主引用文献 | Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry. Nat Commun, 12, 2021
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7E9V
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![BU of 7e9v by Molmil](/molmil-images/mine/7e9v) | The Crystal Structure of human UMP-CMP kinase from Biortus. | 分子名称: | SULFATE ION, UMP-CMP kinase | 著者 | Wang, F, Lin, D, Wang, R, Wei, X, Shen, Z, Wang, M. | 登録日 | 2021-03-05 | 公開日 | 2021-03-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Crystal Structure of human UMP-CMP kinase from Biortus. To Be Published
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3VFE
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![BU of 3vfe by Molmil](/molmil-images/mine/3vfe) | Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group | 分子名称: | 4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide, Kallikrein-6 | 著者 | Chen, X, Zhang, Y, Xia, T, Wang, R. | 登録日 | 2012-01-09 | 公開日 | 2012-11-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group. Acs Med.Chem.Lett., 3, 2012
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2KZX
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![BU of 2kzx by Molmil](/molmil-images/mine/2kzx) | Solution NMR Structure of A3DHT5 from Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR116 | 分子名称: | Uncharacterized protein | 著者 | Mills, J.L, Eletsky, A, Lee, H, Janjua, H, Ciccosanti, C, Wang, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2010-06-25 | 公開日 | 2010-08-25 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Northeast Structural Genomics Consortium Target CmR116 To be Published
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7ESF
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![BU of 7esf by Molmil](/molmil-images/mine/7esf) | The Crystal Structure of human MTH1 from Biortus | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL | 著者 | Wang, F, Cheng, W, Shang, H, Wang, R, Zhang, B, Tian, F. | 登録日 | 2021-05-10 | 公開日 | 2021-05-26 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The Crystal Structure of human MTH1 from Biortus To Be Published
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3I4H
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![BU of 3i4h by Molmil](/molmil-images/mine/3i4h) | Crystal structure of Cas6 in Pyrococcus furiosus | 分子名称: | endoribonuclease | 著者 | Carte, J, Wang, R, Li, H, Terns, R.M, Terns, M.P. | 登録日 | 2009-07-01 | 公開日 | 2009-09-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Cas6 is an endoribonuclease that generates guide RNAs for invader defense in prokaryotes Genes Dev., 22, 2008
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4LAK
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![BU of 4lak by Molmil](/molmil-images/mine/4lak) | Crystal structure of Cordyceps militaris IDCase D323N mutant in apo form | 分子名称: | Uracil-5-carboxylate decarboxylase, ZINC ION | 著者 | Xu, S, Li, W, Zhu, J, Wang, R, Li, Z, Xu, G.L, Ding, J. | 登録日 | 2013-06-20 | 公開日 | 2013-10-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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3NMU
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![BU of 3nmu by Molmil](/molmil-images/mine/3nmu) | Crystal Structure of substrate-bound halfmer box C/D RNP | 分子名称: | 50S ribosomal protein L7Ae, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein, ... | 著者 | Li, H, Xue, S, Wang, R. | 登録日 | 2010-06-22 | 公開日 | 2011-05-25 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.729 Å) | 主引用文献 | Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle. Mol.Cell, 39, 2010
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