3DL7
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![BU of 3dl7 by Molmil](/molmil-images/mine/3dl7) | Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ... | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | Deposit date: | 2008-06-26 | Release date: | 2008-12-02 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation. J.Am.Chem.Soc., 130, 2008
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3B3O
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![BU of 3b3o by Molmil](/molmil-images/mine/3b3o) | Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE, ... | Authors: | Igarashi, J, Li, H, Poulos, T.L. | Deposit date: | 2007-10-22 | Release date: | 2008-11-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors. J.Med.Chem., 52, 2009
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6BS8
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![BU of 6bs8 by Molmil](/molmil-images/mine/6bs8) | The class 3 DnaB intein from Mycobacterium smegmatis | Descriptor: | Replicative DNA helicase | Authors: | Li, Z, Kelley, D.S, Banavali, N, Belfort, M, Li, H. | Deposit date: | 2017-12-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mycobacterial DnaB helicase intein as oxidative stress sensor. Nat Commun, 9, 2018
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5UN0
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![BU of 5un0 by Molmil](/molmil-images/mine/5un0) | Crystal Structure of Mycobacterium Tuberculosis Proteasome-assembly chaperone homologue Rv2125 | Descriptor: | proteasome assembly chaperone 2 (PAC2) homologue Rv2125 | Authors: | Bai, L, Jastrab, J.B, Hu, K, Yu, H, Darwin, K.H, Li, H. | Deposit date: | 2017-01-30 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Analysis of Mycobacterium tuberculosis Homologues of the Eukaryotic Proteasome Assembly Chaperone 2 (PAC2). J. Bacteriol., 199, 2017
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5TRR
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![BU of 5trr by Molmil](/molmil-images/mine/5trr) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2169 | Descriptor: | N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-N-[(naphthalen-1-yl)methyl]-L-alaninamide, Proteasome subunit alpha, Proteasome subunit beta | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | Deposit date: | 2016-10-27 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.103 Å) | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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8E1A
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![BU of 8e1a by Molmil](/molmil-images/mine/8e1a) | Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor | Authors: | Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A. | Deposit date: | 2022-08-10 | Release date: | 2022-09-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors. Cells, 11, 2022
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6OWU
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![BU of 6owu by Molmil](/molmil-images/mine/6owu) | |
3DL4
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![BU of 3dl4 by Molmil](/molmil-images/mine/3dl4) | Non-Aged Form of Mouse Acetylcholinesterase Inhibited by Tabun- Update | Descriptor: | Acetylcholinesterase, HEXAETHYLENE GLYCOL | Authors: | Carletti, E, Li, H, Li, B, Ekstrom, F, Nicolet, Y, Loiodice, M, Gillon, E, Froment, M.T, Lockridge, O, Schopfer, L.M, Masson, P, Nachon, F. | Deposit date: | 2008-06-26 | Release date: | 2008-12-02 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation. J.Am.Chem.Soc., 130, 2008
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5TRY
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![BU of 5try by Molmil](/molmil-images/mine/5try) | Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2206 | Descriptor: | (2~{S})-~{N}-[(2~{S})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide, Proteasome subunit alpha, Proteasome subunit beta | Authors: | Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H. | Deposit date: | 2016-10-27 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.000008 Å) | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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8D6Y
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![BU of 8d6y by Molmil](/molmil-images/mine/8d6y) | |
6M2B
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![BU of 6m2b by Molmil](/molmil-images/mine/6m2b) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | Descriptor: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Li, H. | Deposit date: | 2020-02-27 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2. Protein Cell, 11, 2020
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8D6W
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![BU of 8d6w by Molmil](/molmil-images/mine/8d6w) | |
8D6V
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![BU of 8d6v by Molmil](/molmil-images/mine/8d6v) | |
8D6X
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![BU of 8d6x by Molmil](/molmil-images/mine/8d6x) | |
5BKH
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![BU of 5bkh by Molmil](/molmil-images/mine/5bkh) | |
8D4X
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![BU of 8d4x by Molmil](/molmil-images/mine/8d4x) | Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a dimeric form | Descriptor: | E3 ubiquitin-protein ligase UBR5, ZINC ION | Authors: | Wang, F, He, Q, Lin, G, Li, H. | Deposit date: | 2022-06-02 | Release date: | 2023-04-19 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure of the human UBR5 E3 ubiquitin ligase. Structure, 31, 2023
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1BVY
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![BU of 1bvy by Molmil](/molmil-images/mine/1bvy) | COMPLEX OF THE HEME AND FMN-BINDING DOMAINS OF THE CYTOCHROME P450(BM-3) | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, PROTEIN (CYTOCHROME P450 BM-3), ... | Authors: | Sevrioukova, I.F, Li, H, Zhang, H, Peterson, J.A, Poulos, T.L. | Deposit date: | 1998-09-21 | Release date: | 1999-02-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structure of a cytochrome P450-redox partner electron-transfer complex. Proc.Natl.Acad.Sci.USA, 96, 1999
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8E0Q
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![BU of 8e0q by Molmil](/molmil-images/mine/8e0q) | Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a C2 symmetric dimeric form | Descriptor: | E3 ubiquitin-protein ligase UBR5, ZINC ION | Authors: | Wang, F, He, Q, Lin, G, Li, H. | Deposit date: | 2022-08-09 | Release date: | 2023-04-19 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structure of the human UBR5 E3 ubiquitin ligase. Structure, 31, 2023
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8EWI
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![BU of 8ewi by Molmil](/molmil-images/mine/8ewi) | Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a tetrameric form | Descriptor: | E3 ubiquitin-protein ligase UBR5, ZINC ION | Authors: | Wang, F, He, Q, Lin, G, Li, H. | Deposit date: | 2022-10-23 | Release date: | 2023-04-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of the human UBR5 E3 ubiquitin ligase. Structure, 31, 2023
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8D2P
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![BU of 8d2p by Molmil](/molmil-images/mine/8d2p) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Target bound) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA target strand (5'-D(P*CP*CP*AP*GP*GP*AP*TP*CP*TP*TP*GP*CP*CP*AP*TP*CP*CP*TP*AP*CP*CP*TP*CP*T)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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8D2N
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![BU of 8d2n by Molmil](/molmil-images/mine/8d2n) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Pre-cleavage) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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8D2K
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![BU of 8d2k by Molmil](/molmil-images/mine/8d2k) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 2) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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8D2O
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![BU of 8d2o by Molmil](/molmil-images/mine/8d2o) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Post-cleavage 2) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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8D2L
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![BU of 8d2l by Molmil](/molmil-images/mine/8d2l) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Cleavage Intermediate 1) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*GP*A)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.21 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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8D2Q
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![BU of 8d2q by Molmil](/molmil-images/mine/8d2q) | Structure of Acidothermus cellulolyticus Cas9 ternary complex (Post-cleavage 1) | Descriptor: | CRISPR-associated endonuclease, Csn1 family, DNA non-target strand (5'-D(P*AP*TP*AP*CP*AP*CP*CP*AP*AP*GP*CP*T)-3'), ... | Authors: | Rai, J, Das, A, Li, H. | Deposit date: | 2022-05-30 | Release date: | 2023-12-20 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.58 Å) | Cite: | Coupled catalytic states and the role of metal coordination in Cas9. Nat Catal, 6, 2023
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