1MRG
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![BU of 1mrg by Molmil](/molmil-images/mine/1mrg) | STUDIES ON CRYSTAL STRUCTURES ACTIVE CENTER GEOMETRY AND DEPURINE MECHANISM OF TWO RIBOSOME-INACTIVATING PROTEINS | Descriptor: | ADENOSINE, ALPHA-MOMORCHARIN | Authors: | Huang, Q, Liu, S, Tang, Y, Jin, S, Wang, Y. | Deposit date: | 1994-07-01 | Release date: | 1995-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Studies on crystal structures, active-centre geometry and depurinating mechanism of two ribosome-inactivating proteins. Biochem.J., 309, 1995
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1SMF
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![BU of 1smf by Molmil](/molmil-images/mine/1smf) | Studies on an artificial trypsin inhibitor peptide derived from the mung bean inhibitor | Descriptor: | BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, TRYPSIN | Authors: | Huang, Q, Li, Y, Zhang, S, Liu, S, Tang, Y, Qi, C. | Deposit date: | 1992-10-24 | Release date: | 1994-07-31 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Studies on an artificial trypsin inhibitor peptide derived from the mung bean trypsin inhibitor: chemical synthesis, refolding, and crystallographic analysis of its complex with trypsin. J.Biochem.(Tokyo), 116, 1994
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5GT2
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![BU of 5gt2 by Molmil](/molmil-images/mine/5gt2) | Crystal Structure and Biochemical Features of dye-decolorizing peroxidase YfeX from Escherichia coli O157 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Probable deferrochelatase/peroxidase YfeX | Authors: | Ma, Y.L, Yuan, Z.G, Liu, S, Wang, J.X, Gu, L.C, Liu, X.H. | Deposit date: | 2016-08-18 | Release date: | 2017-02-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Crystal structure and biochemical features of dye-decolorizing peroxidase YfeX from Escherichia coli O157 Asp(143) and Arg(232) play divergent roles toward different substrates Biochem. Biophys. Res. Commun., 484, 2017
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3TEF
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![BU of 3tef by Molmil](/molmil-images/mine/3tef) | Crystal Structure of the Periplasmic Catecholate-Siderophore Binding Protein VctP from Vibrio Cholerae | Descriptor: | Iron(III) ABC transporter, periplasmic iron-compound-binding protein | Authors: | Liu, X, Wang, Z, Liu, S, Li, N, Chen, Y, Zhu, C, Zhu, D, Wei, T, Huang, Y, Xu, S, Gu, L. | Deposit date: | 2011-08-13 | Release date: | 2012-08-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Crystal structure of periplasmic catecholate-siderophore binding protein VctP from Vibrio cholerae at 1.7 A resolution Febs Lett., 586, 2012
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4WUY
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![BU of 4wuy by Molmil](/molmil-images/mine/4wuy) | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | Descriptor: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | Authors: | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | Deposit date: | 2014-11-04 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J.Biol.Chem., 290, 2015
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6PSN
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![BU of 6psn by Molmil](/molmil-images/mine/6psn) | Anthrax toxin protective antigen channels bound to lethal factor | Descriptor: | CALCIUM ION, Lethal factor, Protective antigen | Authors: | Hardenbrook, N.J, Liu, S, Zhou, K, Zhou, Z.H, Krantz, B.A. | Deposit date: | 2019-07-12 | Release date: | 2020-03-04 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors. Nat Commun, 11, 2020
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3QIC
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![BU of 3qic by Molmil](/molmil-images/mine/3qic) | The structure of human glucokinase E339K mutation | Descriptor: | GLYCEROL, Glucokinase, alpha-D-glucopyranose | Authors: | Liu, Q, Liu, S, Liu, J. | Deposit date: | 2011-01-27 | Release date: | 2011-06-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of E339K mutated human glucokinase reveals changes in the ATP binding site. Febs Lett., 585, 2011
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1BUD
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![BU of 1bud by Molmil](/molmil-images/mine/1bud) | ACUTOLYSIN A FROM SNAKE VENOM OF AGKISTRODON ACUTUS AT PH 5.0 | Descriptor: | CALCIUM ION, PROTEIN (ACUTOLYSIN A), ZINC ION | Authors: | Gong, W, Zhu, X, Liu, S, Teng, M, Niu, L. | Deposit date: | 1998-09-03 | Release date: | 1999-09-07 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus. J.Mol.Biol., 283, 1998
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1KBL
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![BU of 1kbl by Molmil](/molmil-images/mine/1kbl) | PYRUVATE PHOSPHATE DIKINASE | Descriptor: | AMMONIUM ION, PYRUVATE PHOSPHATE DIKINASE, SULFATE ION | Authors: | Herzberg, O, Chen, C.C, Liu, S. | Deposit date: | 2001-11-06 | Release date: | 2002-01-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Pyruvate site of pyruvate phosphate dikinase: crystal structure of the enzyme-phosphonopyruvate complex, and mutant analysis Biochemistry, 41, 2002
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1BSW
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![BU of 1bsw by Molmil](/molmil-images/mine/1bsw) | ACUTOLYSIN A FROM SNAKE VENOM OF AGKISTRODON ACUTUS AT PH 7.5 | Descriptor: | CALCIUM ION, PROTEIN (ACUTOLYSIN A), ZINC ION | Authors: | Gong, W, Zhu, X, Liu, S, Teng, M, Niu, L. | Deposit date: | 1998-08-31 | Release date: | 1999-08-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus. J.Mol.Biol., 283, 1998
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5JJU
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![BU of 5jju by Molmil](/molmil-images/mine/5jju) | Crystal structure of Rv2837c complexed with 5'-pApA and 5'-AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, RNA (5'-R(P*AP*A)-3'), ... | Authors: | Wang, F, He, Q, Liu, S, Gu, L. | Deposit date: | 2016-04-25 | Release date: | 2016-05-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.312 Å) | Cite: | Structural and biochemical insight into the mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP phosphodiesterase J.Biol.Chem., 291, 2016
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6ZNS
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![BU of 6zns by Molmil](/molmil-images/mine/6zns) | Crystal Structure of DUF1998 helicase MrfA | Descriptor: | Uncharacterized ATP-dependent helicase YprA, ZINC ION | Authors: | Roske, J.J, Liu, S, Loll, B, Neu, U, Wahl, M.C. | Deposit date: | 2020-07-06 | Release date: | 2020-11-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | A skipping rope translocation mechanism in a widespread family of DNA repair helicases. Nucleic Acids Res., 49, 2021
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6ZNP
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![BU of 6znp by Molmil](/molmil-images/mine/6znp) | Crystal Structure of DUF1998 helicase MrfA bound to DNA | Descriptor: | CITRIC ACID, Uncharacterized ATP-dependent helicase YprA, ZINC ION, ... | Authors: | Roske, J.J, Liu, S, Loll, B, Neu, U, Wahl, M.C. | Deposit date: | 2020-07-06 | Release date: | 2020-11-25 | Last modified: | 2021-01-20 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | A skipping rope translocation mechanism in a widespread family of DNA repair helicases. Nucleic Acids Res., 49, 2021
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6ZNQ
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![BU of 6znq by Molmil](/molmil-images/mine/6znq) | Crystal Structure of DUF1998 helicase MrfA bound to DNA and AMPPNP | Descriptor: | CITRIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Uncharacterized ATP-dependent helicase YprA, ... | Authors: | Roske, J.J, Liu, S, Loll, B, Neu, U, Wahl, M.C. | Deposit date: | 2020-07-06 | Release date: | 2020-11-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | A skipping rope translocation mechanism in a widespread family of DNA repair helicases. Nucleic Acids Res., 49, 2021
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4WHW
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![BU of 4whw by Molmil](/molmil-images/mine/4whw) | Direct photocapture of bromodomains using tropolone chemical probes | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | Authors: | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | Deposit date: | 2014-09-23 | Release date: | 2015-10-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.345 Å) | Cite: | Direct photocapture of bromodomains using tropolone chemical probes To Be Published
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1U53
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![BU of 1u53 by Molmil](/molmil-images/mine/1u53) | Novel X-Ray Structure of Na-ASP-2, a PR-1 protein from the nematode parasite Necator americanus and a vaccine antigen for human hookworm infection | Descriptor: | secreted protein ASP-2 | Authors: | Asojo, O.A, Goud, G, Dhar, K, Loukas, A, Zhan, B, Deumic, V, Liu, S, Borgstahl, G.E.O, Hotez, P.J. | Deposit date: | 2004-07-26 | Release date: | 2005-02-01 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | X-ray structure of Na-ASP-2, a pathogenesis-related-1 protein from the nematode parasite, Necator americanus, and a vaccine antigen for human hookworm infection. J.Mol.Biol., 346, 2005
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6UZB
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![BU of 6uzb by Molmil](/molmil-images/mine/6uzb) | Anthrax toxin protective antigen channels bound to edema factor | Descriptor: | CALCIUM ION, Calmodulin-sensitive adenylate cyclase, Protective antigen | Authors: | Hardenbrook, N.J, Liu, S, Zhou, K, Zhou, Z.H, Krantz, B.A. | Deposit date: | 2019-11-14 | Release date: | 2020-03-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors. Nat Commun, 11, 2020
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3O5X
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![BU of 3o5x by Molmil](/molmil-images/mine/3o5x) | Crystal structure of the oncogenic tyrosine phosphatase SHP2 complexed with a salicylic acid-based small molecule inhibitor | Descriptor: | 3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Zhang, Z.-Y, Zhang, X, He, Y, Liu, S, Yu, Z, Jiang, Z, Yang, Z, Dong, Y, Nabinger, S.C, Wu, L, Gunawan, A.M, Wang, L, Chan, R.J. | Deposit date: | 2010-07-28 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Salicylic acid based small molecule inhibitor for the oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2). J.Med.Chem., 53, 2010
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6UZD
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![BU of 6uzd by Molmil](/molmil-images/mine/6uzd) | Anthrax toxin protective antigen channels bound to edema factor | Descriptor: | CALCIUM ION, Calmodulin-sensitive adenylate cyclase, Protective antigen | Authors: | Hardenbrook, N.J, Liu, S, Zhou, K, Zhou, Z.H, Krantz, B.A. | Deposit date: | 2019-11-14 | Release date: | 2020-03-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors. Nat Commun, 11, 2020
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6UZE
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![BU of 6uze by Molmil](/molmil-images/mine/6uze) | Anthrax toxin protective antigen channels bound to edema factor | Descriptor: | CALCIUM ION, Calmodulin-sensitive adenylate cyclase, Protective antigen | Authors: | Hardenbrook, N.J, Liu, S, Zhou, K, Zhou, Z.H, Krantz, B.A. | Deposit date: | 2019-11-15 | Release date: | 2020-03-04 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Atomic structures of anthrax toxin protective antigen channels bound to partially unfolded lethal and edema factors. Nat Commun, 11, 2020
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4WXM
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![BU of 4wxm by Molmil](/molmil-images/mine/4wxm) | FleQ REC domain from Pseudomonas aeruginosa PAO1 | Descriptor: | Transcriptional regulator FleQ | Authors: | Su, T, Liu, S, Gu, L. | Deposit date: | 2014-11-14 | Release date: | 2015-09-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator J.Struct.Biol., 192, 2015
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3G3E
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![BU of 3g3e by Molmil](/molmil-images/mine/3g3e) | |
6VRA
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![BU of 6vra by Molmil](/molmil-images/mine/6vra) | Anthrax octamer prechannel bound to full-length edema factor | Descriptor: | CALCIUM ION, Calmodulin-sensitive adenylate cyclase, Protective antigen | Authors: | Zhou, K, Hardenbrook, N.J, Liu, S, Cui, Y.X, Krantz, B.A, Zhou, Z.H. | Deposit date: | 2020-02-07 | Release date: | 2020-12-16 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Atomic Structures of Anthrax Prechannel Bound with Full-Length Lethal and Edema Factors. Structure, 28, 2020
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3P2M
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![BU of 3p2m by Molmil](/molmil-images/mine/3p2m) | Crystal Structure of a Novel Esterase Rv0045c from Mycobacterium tuberculosis | Descriptor: | POSSIBLE HYDROLASE | Authors: | Zheng, X.D, Guo, J, Xu, L, Li, H, Zhang, D, Zhang, K, Sun, F, Wen, T, Liu, S, Pang, H. | Deposit date: | 2010-10-03 | Release date: | 2011-07-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of a Novel Esterase Rv0045c from Mycobacterium tuberculosis Plos One, 6, 2011
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2PP4
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![BU of 2pp4 by Molmil](/molmil-images/mine/2pp4) | Solution Structure of ETO-TAFH refined in explicit solvent | Descriptor: | Protein ETO | Authors: | Wei, Y, Liu, S, Lausen, J, Woodrell, C, Cho, S, Biris, N, Kobayashi, N, Yokoyama, S, Werner, M.H. | Deposit date: | 2007-04-27 | Release date: | 2007-06-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A TAF4-homology domain from the corepressor ETO is a docking platform for positive and negative regulators of transcription Nat.Struct.Mol.Biol., 14, 2007
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