8U27
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![BU of 8u27 by Molmil](/molmil-images/mine/8u27) | Bcl-2-xL complexed with compound 35 | Descriptor: | Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate | Authors: | Rizo, J, Pan, Y.-Z. | Deposit date: | 2023-09-05 | Release date: | 2023-09-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights for selective disruption of Beclin 1 binding to Bcl-2. Commun Biol, 6, 2023
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8DL6
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![BU of 8dl6 by Molmil](/molmil-images/mine/8dl6) | Cryo-EM structure of human ferroportin/slc40 bound to Ca2+ in nanodisc | Descriptor: | 11F9 heavy-chain, 11F9 light-chain, CALCIUM ION, ... | Authors: | Shen, J, Wilbon, A.S, Pan, Y, Zhou, M. | Deposit date: | 2022-07-07 | Release date: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of Ca 2+ transport by ferroportin. Elife, 12, 2023
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8DL7
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![BU of 8dl7 by Molmil](/molmil-images/mine/8dl7) | Cryo-EM structure of human ferroportin/slc40 bound to minihepcidin PR73 in nanodisc | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 11F9 heavy-chain, 11F9 light-chain, ... | Authors: | Shen, J, Wilbon, A.S, Pan, Y, Zhou, M. | Deposit date: | 2022-07-07 | Release date: | 2022-12-07 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of ferroportin inhibition by minihepcidin PR73. Plos Biol., 21, 2023
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8DL8
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![BU of 8dl8 by Molmil](/molmil-images/mine/8dl8) | Cryo-EM structure of human ferroportin/slc40 bound to Co2+ in nanodisc | Descriptor: | 11F9 heavy-chain, 11F9 light-chain, COBALT (II) ION, ... | Authors: | Shen, J, Wilbon, A.S, Pan, Y, Zhou, M. | Deposit date: | 2022-07-07 | Release date: | 2022-12-07 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of ferroportin inhibition by minihepcidin PR73. Plos Biol., 21, 2023
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4Z7A
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![BU of 4z7a by Molmil](/molmil-images/mine/4z7a) | Structural and biochemical characterization of a non-functionally redundant M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. | Descriptor: | ACETYL GROUP, DI(HYDROXYETHYL)ETHER, Mycobacterium tuberculosis (3,3)L,D-Transpeptidase type 5, ... | Authors: | Basta, L, Ghosh, A, Pan, Y, Jakoncic, J, Lloyd, E, Townsend, G, Lamichhane, G, Bianchet, M.A. | Deposit date: | 2015-04-06 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis. J.Biol.Chem., 290, 2015
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7LUG
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![BU of 7lug by Molmil](/molmil-images/mine/7lug) | Crystal structure of the pnRFP B30Y mutant | Descriptor: | PHOSPHATE ION, Red Fluorescent pnRFP B30Y mutant | Authors: | Huang, M, Ng, H.L, Pang, Y, Zhang, S, Fan, Y, Yeh, H, Xiong, Y, Li, X, Ai, H. | Deposit date: | 2021-02-22 | Release date: | 2022-03-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Development, Characterization, and Structural Analysis of a Genetically Encoded Red Fluorescent Peroxynitrite Biosensor To Be Published
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7LQO
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![BU of 7lqo by Molmil](/molmil-images/mine/7lqo) | Crystal structure of a genetically encoded red fluorescent peroxynitrite biosensor, pnRFP | Descriptor: | PHOSPHATE ION, red fluorescent peroxynitrite biosensor pnRFP | Authors: | Huang, M, Ng, H.L, Pang, Y, Zhang, S, Fan, Y, Yeh, H, Xiong, Y, Li, X, Ai, H. | Deposit date: | 2021-02-14 | Release date: | 2022-03-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development, Characterization, and Structural Analysis of a Genetically Encoded Red Fluorescent Peroxynitrite Biosensor To Be Published
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3LQR
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![BU of 3lqr by Molmil](/molmil-images/mine/3lqr) | Structure of CED-4:CED-3 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 4, MAGNESIUM ION | Authors: | Qi, S, Pang, Y, Shi, Y, Yan, N. | Deposit date: | 2010-02-09 | Release date: | 2010-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.896 Å) | Cite: | Crystal structure of the Caenorhabditis elegans apoptosome reveals an octameric assembly of CED-4. Cell(Cambridge,Mass.), 141, 2010
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1HN4
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![BU of 1hn4 by Molmil](/molmil-images/mine/1hn4) | PROPHOSPHOLIPASE A2 DIMER COMPLEXED WITH MJ33, SULFATE, AND CALCIUM | Descriptor: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PROPHOSPHOLIPASE A2, ... | Authors: | Epstein, T.M, Pan, Y.H, Jain, M.K, Bahnson, B.J. | Deposit date: | 2000-12-06 | Release date: | 2001-12-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The basis for k(cat) impairment in prophospholipase A(2) from the anion-assisted dimer structure. Biochemistry, 40, 2001
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8GUE
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![BU of 8gue by Molmil](/molmil-images/mine/8gue) | Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-09-11 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids. Nat Commun, 14, 2023
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1K5R
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![BU of 1k5r by Molmil](/molmil-images/mine/1k5r) | YAP65 WW domain S24-Amino-Ethylsulfanyl-Acetic Acid mutant | Descriptor: | 65 KDA YES-ASSOCIATED PROTEIN, Fragment of WBP-1 | Authors: | Ferguson, N, Pires, J.R, Toepert, F, Johnson, C.M, Pan, Y.P, Volkmer-Engert, R, Schneider-Mergener, J, Daggett, V, Oschkinat, H, Fersht, A.R. | Deposit date: | 2001-10-12 | Release date: | 2001-11-02 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Using flexible loop mimetics to extend phi-value analysis to secondary structure interactions. Proc.Natl.Acad.Sci.USA, 98, 2001
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7E5Y
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![BU of 7e5y by Molmil](/molmil-images/mine/7e5y) | Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD | Descriptor: | 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1 | Authors: | Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M. | Deposit date: | 2021-02-21 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries. Cell Discov, 7, 2021
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3ZO9
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![BU of 3zo9 by Molmil](/molmil-images/mine/3zo9) | The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis | Descriptor: | CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D. | Deposit date: | 2013-02-21 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode. Glycobiology, 23, 2013
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3ZOA
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![BU of 3zoa by Molmil](/molmil-images/mine/3zoa) | The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis in complex with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Caner, S, Nguyen, N, Aguda, A, Zhang, R, Pan, Y.T, Withers, S.G, Brayer, G.D. | Deposit date: | 2013-02-21 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals an Unusual Active Site Configuration and Acarbose-Binding Mode. Glycobiology, 23, 2013
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7F0A
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![BU of 7f0a by Molmil](/molmil-images/mine/7f0a) | |
7F0B
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![BU of 7f0b by Molmil](/molmil-images/mine/7f0b) | Crystal structure of capreomycin phosphotransferase in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Capreomycin phosphotransferase | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | Deposit date: | 2021-06-03 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin. Acs Chem.Biol., 17, 2022
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7F0F
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![BU of 7f0f by Molmil](/molmil-images/mine/7f0f) | Crystal structure of capreomycin phosphotransferase in complex with CMN IIB | Descriptor: | Capreomycin phosphotransferase, DPP-ALA-DPP-UAL-MYN-KBE | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | Deposit date: | 2021-06-03 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin. Acs Chem.Biol., 17, 2022
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7F0C
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![BU of 7f0c by Molmil](/molmil-images/mine/7f0c) | Crystal structure of capreomycin phosphotransferase in complex with CMN IIA | Descriptor: | Capreomycin phosphotransferase, DPP-SER-DPP-UAL-MYN-KBE | Authors: | Chang, C.Y, Pan, Y.C, Wang, Y.L, Toh, S.I. | Deposit date: | 2021-06-03 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Dual-Mechanism Confers Self-Resistance to the Antituberculosis Antibiotic Capreomycin. Acs Chem.Biol., 17, 2022
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1ZGB
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![BU of 1zgb by Molmil](/molmil-images/mine/1zgb) | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. | Descriptor: | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2005-04-21 | Release date: | 2005-08-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005
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1ZGC
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![BU of 1zgc by Molmil](/molmil-images/mine/1zgc) | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor. | Descriptor: | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2005-04-21 | Release date: | 2005-08-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005
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1C7T
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![BU of 1c7t by Molmil](/molmil-images/mine/1c7t) | BETA-N-ACETYLHEXOSAMINIDASE MUTANT E540D COMPLEXED WITH DI-N ACETYL-D-GLUCOSAMINE (CHITOBIASE) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE, SULFATE ION | Authors: | Prag, G, Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K, Oppenheim, A.B. | Deposit date: | 2000-03-17 | Release date: | 2000-09-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of chitobiase mutants complexed with the substrate Di-N-acetyl-d-glucosamine: the catalytic role of the conserved acidic pair, aspartate 539 and glutamate 540. J.Mol.Biol., 300, 2000
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1C7S
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![BU of 1c7s by Molmil](/molmil-images/mine/1c7s) | BETA-N-ACETYLHEXOSAMINIDASE MUTANT D539A COMPLEXED WITH DI-N-ACETYL-BETA-D-GLUCOSAMINE (CHITOBIASE) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE, SULFATE ION | Authors: | Prag, G, Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K, Oppenheim, A.B. | Deposit date: | 2000-03-14 | Release date: | 2000-09-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of chitobiase mutants complexed with the substrate Di-N-acetyl-d-glucosamine: the catalytic role of the conserved acidic pair, aspartate 539 and glutamate 540. J.Mol.Biol., 300, 2000
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1BPR
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![BU of 1bpr by Molmil](/molmil-images/mine/1bpr) | NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK, MINIMIZED AVERAGE STRUCTURE | Descriptor: | DNAK | Authors: | Wang, H, Kurochkin, A.V, Pang, Y, Hu, W, Flynn, G.C, Zuiderweg, E.R.P. | Deposit date: | 1998-08-11 | Release date: | 1999-03-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR solution structure of the 21 kDa chaperone protein DnaK substrate binding domain: a preview of chaperone-protein interaction. Biochemistry, 37, 1998
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1CKR
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![BU of 1ckr by Molmil](/molmil-images/mine/1ckr) | HIGH RESOLUTION SOLUTION STRUCTURE OF THE HEAT SHOCK COGNATE-70 KD SUBSTRATE BINDING DOMAIN OBTAINED BY MULTIDIMENSIONAL NMR TECHNIQUES | Descriptor: | HEAT SHOCK SUBSTRATE BINDING DOMAIN OF HSC-70 | Authors: | Morshauser, R.C, Hu, W, Wang, H, Pang, Y, Flynn, G.C, Zuiderweg, E.R.P. | Deposit date: | 1999-04-22 | Release date: | 1999-04-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | High-resolution solution structure of the 18 kDa substrate-binding domain of the mammalian chaperone protein Hsc70. J.Mol.Biol., 289, 1999
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2JF0
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![BU of 2jf0 by Molmil](/molmil-images/mine/2jf0) | Mus musculus acetylcholinesterase in complex with tabun and Ortho-7 | Descriptor: | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL | Authors: | Ekstrom, F, Astot, C, Pang, Y.P. | Deposit date: | 2007-01-25 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel Nerve-Agent Antidote Design Based on Crystallographic and Mass Spectrometric Analyses of Tabun-Conjugated Acetylcholinesterase in Complex with Antidotes. Clin.Pharmacol.Ther., 82, 2007
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