8H8S
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![BU of 8h8s by Molmil](/molmil-images/mine/8h8s) | Bovine Heart Cytochrome c Oxidase in the Calcium-bound Fully Reduced State | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, 1,2-ETHANEDIOL, ... | Authors: | Muramoto, K, Shinzawa-Itoh, K. | Deposit date: | 2022-10-24 | Release date: | 2023-02-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Calcium-bound structure of bovine cytochrome c oxidase. Biochim Biophys Acta Bioenerg, 1864, 2023
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5WMJ
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5WMM
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![BU of 5wmm by Molmil](/molmil-images/mine/5wmm) | Crystal structure of an adenylation domain interrupted by a methylation domain (AMA4) from nonribosomal peptide synthetase TioS | Descriptor: | (2S)-2-amino-3-methylbutanoyl (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl hydrogen (S)-phosphate, CALCIUM ION, CHLORIDE ION, ... | Authors: | Pang, A.H, Mori, S, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2017-07-30 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for backbone N-methylation by an interrupted adenylation domain. Nat. Chem. Biol., 14, 2018
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8H8R
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![BU of 8h8r by Molmil](/molmil-images/mine/8h8r) | Bovine Heart Cytochrome c Oxidase in the Calcium-bound Fully Oxidized State | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, 1,2-ETHANEDIOL, ... | Authors: | Muramoto, K, Shinzawa-Itoh, K. | Deposit date: | 2022-10-24 | Release date: | 2023-02-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Calcium-bound structure of bovine cytochrome c oxidase. Biochim Biophys Acta Bioenerg, 1864, 2023
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8GYH
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![BU of 8gyh by Molmil](/molmil-images/mine/8gyh) | Crystal structure of Fic25 (apo form) from Streptomyces ficellus | Descriptor: | DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, IMIDAZOLE | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | Deposit date: | 2022-09-22 | Release date: | 2023-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis. Acs Chem.Biol., 18, 2023
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5WWF
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![BU of 5wwf by Molmil](/molmil-images/mine/5wwf) | Crystal structure of hnRNPA2B1 in complex with RNA | Descriptor: | Heterogeneous nuclear ribonucleoproteins A2/B1, RNA | Authors: | Wu, B.X, Su, S.C, Ma, J.B. | Deposit date: | 2017-01-01 | Release date: | 2018-01-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular basis for the specific and multivariant recognitions of RNA substrates by human hnRNP A2/B1. Nat Commun, 9, 2018
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8H6T
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![BU of 8h6t by Molmil](/molmil-images/mine/8h6t) | Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor | Descriptor: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
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5I1E
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![BU of 5i1e by Molmil](/molmil-images/mine/5i1e) | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV1-39 | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN, GLYCEROL, ... | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | Deposit date: | 2016-02-05 | Release date: | 2016-06-08 | Last modified: | 2016-08-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural diversity in a human antibody germline library. Mabs, 8, 2016
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8H2X
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![BU of 8h2x by Molmil](/molmil-images/mine/8h2x) | Structure of Acb2 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, p26 | Authors: | Feng, Y, Cao, X.L. | Deposit date: | 2022-10-07 | Release date: | 2023-02-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Bacteriophages inhibit and evade cGAS-like immune function in bacteria. Cell, 186, 2023
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5WLJ
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8GYI
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![BU of 8gyi by Molmil](/molmil-images/mine/8gyi) | Crystal structure of Fic25 (holo form) from Streptomyces ficellus | Descriptor: | DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, IMIDAZOLE, ... | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | Deposit date: | 2022-09-22 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis. Acs Chem.Biol., 18, 2023
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5WLM
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5WMB
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![BU of 5wmb by Molmil](/molmil-images/mine/5wmb) | Structure of the 10S (-)-cis-BP-dG modified Rev1 ternary complex (the BP residue is disordered) | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K. | Deposit date: | 2017-07-28 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase. Nat Commun, 8, 2017
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5WAU
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![BU of 5wau by Molmil](/molmil-images/mine/5wau) | Crystal Structure of CO-bound Cytochrome c Oxidase determined by Synchrotron X-Ray Crystallography at 100 K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Fromme, R, Ishigami, I, Yeh, S.Y, Zatsepin, N, Grant, T, Fromme, P, Rousseau, D. | Deposit date: | 2017-06-27 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5WMV
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![BU of 5wmv by Molmil](/molmil-images/mine/5wmv) | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase 1 | Descriptor: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | Deposit date: | 2017-07-31 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1. Nat Commun, 8, 2017
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5I1H
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![BU of 5i1h by Molmil](/molmil-images/mine/5i1h) | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV3-20 | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | Deposit date: | 2016-02-05 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.222 Å) | Cite: | Structural diversity in a human antibody germline library. Mabs, 8, 2016
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8GYJ
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![BU of 8gyj by Molmil](/molmil-images/mine/8gyj) | Crystal structure of Fic25 complexed with PLP-(5S,6S)-N2-acetyl-DADH adduct from Streptomyces ficellus | Descriptor: | (2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid, DegT/DnrJ/EryC1/StrS family aminotransferase, GLYCEROL, ... | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | Deposit date: | 2022-09-22 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Mechanisms of Sugar Aminotransferase-like Enzymes to Synthesize Stereoisomers of Non-proteinogenic Amino Acids in Natural Product Biosynthesis. Acs Chem.Biol., 18, 2023
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8H6P
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![BU of 8h6p by Molmil](/molmil-images/mine/8h6p) | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | Descriptor: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | Authors: | Ren, X. | Deposit date: | 2022-10-18 | Release date: | 2023-02-22 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14, 2023
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8HFB
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![BU of 8hfb by Molmil](/molmil-images/mine/8hfb) | Evolved variant of quercetin 2,4-dioxygenase from Bacillus subtilis | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NICKEL (II) ION, ... | Authors: | Eom, H, Song, W.J. | Deposit date: | 2022-11-10 | Release date: | 2023-03-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Underlying Role of Hydrophobic Environments in Tuning Metal Elements for Efficient Enzyme Catalysis. J.Am.Chem.Soc., 145, 2023
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8HFH
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![BU of 8hfh by Molmil](/molmil-images/mine/8hfh) | CENP-E motor domain in complex with AMPPNP and Mg2+ | Descriptor: | Centromere-associated protein E, IMIDAZOLE, MAGNESIUM ION, ... | Authors: | Shibuya, A, Yokoyama, H. | Deposit date: | 2022-11-10 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the motor domain of centromere-associated protein E in complex with a non-hydrolysable ATP analogue. Febs Lett., 597, 2023
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5W98
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![BU of 5w98 by Molmil](/molmil-images/mine/5w98) | Pyridine synthase, PbtD, from GE2270 biosynthesis | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PbtD | Authors: | Cogan, D.P, Nair, S.K. | Deposit date: | 2017-06-22 | Release date: | 2017-11-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8HBA
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5ICX
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![BU of 5icx by Molmil](/molmil-images/mine/5icx) | Cetuximab Fab in complex with CQFDLSTRRLRCGGSK meditope | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ... | Authors: | Bzymek, K.P, Williams, J.C. | Deposit date: | 2016-02-23 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes. Acta Crystallogr F Struct Biol Commun, 72, 2016
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8GY1
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8HJA
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![BU of 8hja by Molmil](/molmil-images/mine/8hja) | The crystal structure of syn_CdgR-(c-di-GMP) from Synechocystis sp. PCC 6803 | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), c-di-GMP receptor | Authors: | Zeng, X, Peng, Y.J. | Deposit date: | 2022-11-22 | Release date: | 2023-03-29 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | A c-di-GMP binding effector controls cell size in a cyanobacterium. Proc.Natl.Acad.Sci.USA, 120, 2023
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