7UHM
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![BU of 7uhm by Molmil](/molmil-images/mine/7uhm) | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam (150 ms Snapshot) | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-03-27 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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4XZM
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![BU of 4xzm by Molmil](/molmil-images/mine/4xzm) | Crystal structure of the methylated wild-type AKR1B10 holoenzyme | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | Deposit date: | 2015-02-04 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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7UHO
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![BU of 7uho by Molmil](/molmil-images/mine/7uho) | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Cleaved Moxalactam (500 ms Snapshot) | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-03-27 | Release date: | 2022-07-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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6PU8
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![BU of 6pu8 by Molmil](/molmil-images/mine/6pu8) | Room temperature X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate of keto-darunavir | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate, HIV-1 protease | Authors: | Kovalevsky, A, Das, A. | Deposit date: | 2019-07-17 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design. Acs Omega, 5, 2020
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8CYX
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![BU of 8cyx by Molmil](/molmil-images/mine/8cyx) | CryoEM structure of amplified alpha-synuclein fibril class A type I with compact core from DLB case III | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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8CYY
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![BU of 8cyy by Molmil](/molmil-images/mine/8cyy) | CryoEM structure of amplified alpha-synuclein fibril class B mixed type I/II with extended core from DLB case V | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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7WN2
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![BU of 7wn2 by Molmil](/molmil-images/mine/7wn2) | |
7WNB
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![BU of 7wnb by Molmil](/molmil-images/mine/7wnb) | |
8CZ0
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![BU of 8cz0 by Molmil](/molmil-images/mine/8cz0) | CryoEM structure of amplified alpha-synuclein fibril class B type I with extended core from DLB case VII | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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8CYW
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![BU of 8cyw by Molmil](/molmil-images/mine/8cyw) | CryoEM structures of amplified alpha-synuclein fibril class B type I with compact core from DLB case III | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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8CYT
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![BU of 8cyt by Molmil](/molmil-images/mine/8cyt) | CryoEM structures of amplified alpha-synuclein fibril class A type I with extended core from DLB case I | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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8CZ1
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![BU of 8cz1 by Molmil](/molmil-images/mine/8cz1) | CryoEM structure of amplified alpha-synuclein fibril class B type II with extended core from DLB case VII | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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8CZ3
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![BU of 8cz3 by Molmil](/molmil-images/mine/8cz3) | CryoEM structure of amplified alpha-synuclein fibril class B type I with extended core from DLB case X | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and functional landscape of alpha-synuclein fibril assemblies amplified from cerebrospinal fluid To Be Published
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6Q8Z
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![BU of 6q8z by Molmil](/molmil-images/mine/6q8z) | Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2018-12-16 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide To Be Published
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8D9H
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![BU of 8d9h by Molmil](/molmil-images/mine/8d9h) | gRAMP-TPR-CHAT match PFS target RNA(Craspase) | Descriptor: | CHAT domain protein, PHOSPHATE ION, RAMP superfamily protein, ... | Authors: | Hu, C, Nam, K.H, Schuler, G, Ke, A. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Craspase is a CRISPR RNA-guided, RNA-activated protease. Science, 377, 2022
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6Q91
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![BU of 6q91 by Molmil](/molmil-images/mine/6q91) | Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2018-12-17 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide To Be Published
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6QF1
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![BU of 6qf1 by Molmil](/molmil-images/mine/6qf1) | X-Ray structure of Proteinase K crystallized on a silicon chip | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Proteinase K | Authors: | Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A. | Deposit date: | 2019-01-09 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.737 Å) | Cite: | On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies. Iucrj, 6, 2019
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7DCZ
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![BU of 7dcz by Molmil](/molmil-images/mine/7dcz) | Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4- fluorophenyl}-5-cyanopyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Koriyama, Y, Hori, A, Ito, H, Yonezawa, S, Baba, Y, Tanimoto, N, Ueno, T, Yamamoto, S, Yamamoto, T, Asada, N, Morimoto, K, Einaru, S, Sakai, K, Kanazu, T, Matsuda, A, Yamaguchi, Y, Oguma, T, Timmers, M, Tritsmans, L, Kusakabe, K.I, Kato, A, Sakaguchi, G. | Deposit date: | 2020-10-27 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based beta-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial. J.Med.Chem., 64, 2021
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8D9F
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![BU of 8d9f by Molmil](/molmil-images/mine/8d9f) | gRAMP-TPR-CHAT (Craspase) | Descriptor: | CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ... | Authors: | Hu, C, Nam, K.H, Schuler, G, Ke, A. | Deposit date: | 2022-06-09 | Release date: | 2023-06-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Craspase is a CRISPR RNA-guided, RNA-activated protease. Science, 377, 2022
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6QBB
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![BU of 6qbb by Molmil](/molmil-images/mine/6qbb) | |
6Q81
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![BU of 6q81 by Molmil](/molmil-images/mine/6q81) | Structure of P-glycoprotein(ABCB1) in the post-hydrolytic state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, P-glycoprotein (ABCB1) | Authors: | Ford, R.C, Thonghin, N, Collins, R.F, Barbieri, A, Shafi, T, Siebert, A. | Deposit date: | 2018-12-13 | Release date: | 2018-12-26 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.9 Å) | Cite: | Novel features in the structure of P-glycoprotein (ABCB1) in the post-hydrolytic state as determined at 7.9 angstrom resolution. Bmc Struct.Biol., 18, 2018
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6Q3W
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![BU of 6q3w by Molmil](/molmil-images/mine/6q3w) | Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, beta-D-galactopyranose, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2018-12-04 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate To Be Published
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8B4N
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![BU of 8b4n by Molmil](/molmil-images/mine/8b4n) | |
6PTP
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![BU of 6ptp by Molmil](/molmil-images/mine/6ptp) | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1 | Descriptor: | HIV-1 Protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide | Authors: | Kovalevsky, A, Das, A. | Deposit date: | 2019-07-16 | Release date: | 2020-06-10 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design. Acs Omega, 5, 2020
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6HV9
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![BU of 6hv9 by Molmil](/molmil-images/mine/6hv9) | S. cerevisiae CMG-Pol epsilon-DNA | Descriptor: | Cell division control protein 45, DNA (5'-D(*GP*CP*AP*GP*CP*CP*AP*CP*GP*CP*TP*GP*GP*CP*CP*GP*TP*TP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*AP*AP*CP*GP*GP*CP*CP*AP*GP*CP*GP*TP*GP*GP*CP*TP*GP*C)-3'), ... | Authors: | Abid Ali, F, Purkiss, A.G, Cheung, A, Costa, A. | Deposit date: | 2018-10-10 | Release date: | 2018-12-12 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (4.98 Å) | Cite: | Structure of DNA-CMG-Pol epsilon elucidates the roles of the non-catalytic polymerase modules in the eukaryotic replisome. Nat Commun, 9, 2018
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