1K5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1Z5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z5f by Molmil](/molmil-images/mine/1z5f) | Solution Structure of the Cytotoxic RC-RNase 3 with a Pyroglutamate Residue at the N-terminus | Descriptor: | RC-RNase 3 | Authors: | Lou, Y.C, Huang, Y.C, Pan, Y.R, Chen, C, Liao, Y.D. | Deposit date: | 2005-03-18 | Release date: | 2006-02-28 | Last modified: | 2019-12-25 | Method: | SOLUTION NMR | Cite: | Roles of N-terminal pyroglutamate in maintaining structural integrity and pKa values of catalytic histidine residues in bullfrog ribonuclease 3 J.Mol.Biol., 355, 2006
|
|
8DL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
8DL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
8DL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
4Z7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7XBO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xbo by Molmil](/molmil-images/mine/7xbo) | Crystal Structure of 10-dml-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | New mechanistic insight of cytochrome P450 PikC gained from site-specific mutagenesis by non-coding amino acids Nat Commun, 2023
|
|
7XBN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xbn by Molmil](/molmil-images/mine/7xbn) | Crystal Structure of YC-17-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New mechanistic insight of cytochrome P450 PikC gained from site-specific mutagenesis by non-coding amino acids Nat Commun, 2023
|
|
7XBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xbm by Molmil](/molmil-images/mine/7xbm) | Crystal Structure of cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | Descriptor: | CACODYLATE ION, Cytochrome P450 monooxygenase PikC, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | Deposit date: | 2022-03-21 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 Nat Commun, 2023
|
|
3ZO9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3ZOA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7E5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7F0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7f0a by Molmil](/molmil-images/mine/7f0a) | |
7F0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7F0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7F0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1H23
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1h23 by Molmil](/molmil-images/mine/1h23) | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(12)-hupyridone at 2.15A resolution | Descriptor: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.F, Pang, Y.P, Silman, I, Sussman, J.L. | Deposit date: | 2002-07-30 | Release date: | 2002-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity J.Am.Chem.Soc., 125, 2003
|
|
1H22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1h22 by Molmil](/molmil-images/mine/1h22) | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution | Descriptor: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | Deposit date: | 2002-07-30 | Release date: | 2002-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity J.Am.Chem.Soc., 125, 2003
|
|
7LUG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7LQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2JF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2JEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jey by Molmil](/molmil-images/mine/2jey) | Mus musculus acetylcholinesterase in complex with HLo-7 | Descriptor: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, 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 (2.7 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
|
|
2JEZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jez by Molmil](/molmil-images/mine/2jez) | Mus musculus acetylcholinesterase in complex with tabun and HLo-7 | Descriptor: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, 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 (2.6 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
|
|
3LQQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3lqq by Molmil](/molmil-images/mine/3lqq) | Structure of the CED-4 Apoptosome | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 4, MAGNESIUM ION | Authors: | Qi, S, Pang, Y, Shi, Y, Yan, N, Liu, Q. | Deposit date: | 2010-02-09 | Release date: | 2010-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.534 Å) | Cite: | Crystal structure of the Caenorhabditis elegans apoptosome reveals an octameric assembly of CED-4. Cell(Cambridge,Mass.), 141, 2010
|
|
1ODC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1odc by Molmil](/molmil-images/mine/1odc) | STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | Deposit date: | 2003-02-15 | Release date: | 2005-03-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006
|
|