7SG5
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![BU of 7sg5 by Molmil](/molmil-images/mine/7sg5) | Structure of PfCSP peptide 21 with antibody CIS43_Var2 | Descriptor: | CIS43_Var2 Fab Heavy chain, CIS43_Var2 Fab Light chain, GLYCEROL, ... | Authors: | Tripathi, P, Kwong, P.D. | Deposit date: | 2021-10-05 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Highly protective antimalarial antibodies via precision library generation and yeast display screening. J.Exp.Med., 219, 2022
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7RW4
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![BU of 7rw4 by Molmil](/molmil-images/mine/7rw4) | Crystal structure of junctophilin-1 | Descriptor: | ACETATE ION, GLYCEROL, Junctophilin-1 | Authors: | Yang, Z, Panwar, P, Van Petegem, F. | Deposit date: | 2021-08-19 | Release date: | 2022-02-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations. Proc.Natl.Acad.Sci.USA, 119, 2022
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1S0R
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1ZG7
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![BU of 1zg7 by Molmil](/molmil-images/mine/1zg7) | Crystal Structure of 2-(5-{[amino(imino)methyl]amino}-2-chlorophenyl)-3-sulfanylpropanoic acid Bound to Activated Porcine Pancreatic Carboxypeptidase B | Descriptor: | 2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID, ZINC ION, procarboxypeptidase B | Authors: | Adler, M, Bryant, J, Buckman, B, Islam, I, Larsen, B, Finster, S, Kent, L, May, K, Mohan, R, Yuan, S, Whitlow, M. | Deposit date: | 2005-04-20 | Release date: | 2005-07-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b. Biochemistry, 44, 2005
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4BGH
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![BU of 4bgh by Molmil](/molmil-images/mine/4bgh) | Crystal Structure of CDK2 in complex with pan-CDK Inhibitor | Descriptor: | 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE, CYCLIN-DEPENDENT KINASE 2 | Authors: | Luecking, U, Jautelat, R, Krueger, M, Brumby, T, Lienau, P, Schaefer, M, Briem, H, Schulze, J, Hillisch, A, Reichel, A, Siemeister, G. | Deposit date: | 2013-03-26 | Release date: | 2013-09-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Lab Oddity Prevails: Discovery of Pan-Cdk Inhibitor (R)- S-Cyclopropyl-S-(4-{[4-{[(1R,2R)-2-Hydroxy-1-Methylpropyl]Oxy}-5-(Trifluoromethyl)Pyrimidin-2-Yl]Amino}Phenyl)Sulfoximide (Bay 1000394) for the Treatment of Cancer. Chemmedchem, 8, 2013
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8SS7
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![BU of 8ss7 by Molmil](/molmil-images/mine/8ss7) | Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK, channel blocker spermidine and antiepileptic drug perampanel (closed state) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ... | Authors: | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | Deposit date: | 2023-05-08 | Release date: | 2023-09-06 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2. Nat.Struct.Mol.Biol., 30, 2023
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4BHI
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![BU of 4bhi by Molmil](/molmil-images/mine/4bhi) | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate | Descriptor: | 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | Authors: | Tars, K, Leitans, J, Kazaks, A. | Deposit date: | 2013-04-03 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
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5LBR
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![BU of 5lbr by Molmil](/molmil-images/mine/5lbr) | Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at SACLA | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome | Authors: | Edlund, P, Claesson, E, Nakane, T, Takala, H, Dods, R, Schmidt, M, Westenhoff, S. | Deposit date: | 2016-06-17 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography. Sci Rep, 6, 2016
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4K42
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![BU of 4k42 by Molmil](/molmil-images/mine/4k42) | Crystal structure of actin in complex with synthetic AplC tail analogue SF01 [(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate] | Descriptor: | (3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | Authors: | Pereira, J.H, Petchprayoon, C, Moriarty, N.W, Fink, S.J, Cecere, G, Paterson, I, Adams, P.D, Marriott, G. | Deposit date: | 2013-04-11 | Release date: | 2014-10-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and biochemical studies of actin in complex with synthetic macrolide tail analogues. Chemmedchem, 9, 2014
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5L8M
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![BU of 5l8m by Molmil](/molmil-images/mine/5l8m) | Wild-type PAS-GAF fragment from Deinococcus radiodurans Bphp collected at LCLS | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, Bacteriophytochrome | Authors: | Claesson, E, Takala, H, Edlund, P, Henry, L, Dods, R, Schmidt, M, Westenhoff, S. | Deposit date: | 2016-06-08 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography. Sci Rep, 6, 2016
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4AWP
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![BU of 4awp by Molmil](/molmil-images/mine/4awp) | Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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6B3D
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7AMZ
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![BU of 7amz by Molmil](/molmil-images/mine/7amz) | Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide | Descriptor: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A. | Deposit date: | 2020-10-10 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters. Eur.J.Med.Chem., 218, 2021
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7E9Q
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![BU of 7e9q by Molmil](/molmil-images/mine/7e9q) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | Authors: | Wang, X.F, Zhu, Y.Q. | Deposit date: | 2021-03-04 | Release date: | 2022-03-09 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD Signal Transduct Target Ther, 7, 2022
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7E9O
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![BU of 7e9o by Molmil](/molmil-images/mine/7e9o) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(3 up RBDs, state2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | Authors: | Wang, X.F, Zhu, Y.Q. | Deposit date: | 2021-03-04 | Release date: | 2022-03-09 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD Signal Transduct Target Ther, 7, 2022
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7E9P
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![BU of 7e9p by Molmil](/molmil-images/mine/7e9p) | |
7E9N
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![BU of 7e9n by Molmil](/molmil-images/mine/7e9n) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 down RBD, state1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | Authors: | Wang, X.F, Zhu, Y.Q. | Deposit date: | 2021-03-04 | Release date: | 2022-04-06 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD Signal Transduct Target Ther, 7, 2022
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7ENF
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![BU of 7enf by Molmil](/molmil-images/mine/7enf) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, ... | Authors: | Wang, X.F, Zhu, Y.Q. | Deposit date: | 2021-04-16 | Release date: | 2022-04-06 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD Signal Transduct Target Ther, 7, 2022
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7ENG
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1VYB
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![BU of 1vyb by Molmil](/molmil-images/mine/1vyb) | Endonuclease domain of human LINE1 ORF2p | Descriptor: | GLYCEROL, ORF2 CONTAINS A REVERSE TRANSCRIPTASE DOMAIN, SULFATE ION, ... | Authors: | Weichenrieder, O, Repanas, K, Perrakis, A. | Deposit date: | 2004-04-25 | Release date: | 2004-06-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the targeting endonuclease of the human LINE-1 retrotransposon. Structure, 12, 2004
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7F46
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![BU of 7f46 by Molmil](/molmil-images/mine/7f46) | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | Authors: | Wang, X.F, Zhu, Y.Q. | Deposit date: | 2021-06-17 | Release date: | 2022-03-23 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (4.79 Å) | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD Signal Transduct Target Ther, 7, 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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1YS6
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6T6O
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![BU of 6t6o by Molmil](/molmil-images/mine/6t6o) | Y201W mutant of the orange carotenoid protein from Synechocystis at pH 4.6 | Descriptor: | ASPARAGINE, CHLORIDE ION, GLYCEROL, ... | Authors: | Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G. | Deposit date: | 2019-10-18 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein. Commun Biol, 4, 2021
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