1OWP
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![BU of 1owp by Molmil](/molmil-images/mine/1owp) | DATA6:photoreduced DNA pholyase / received X-rays dose 4.8 exp15 photons/mm2 | Descriptor: | Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION | Authors: | Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R. | Deposit date: | 2003-03-28 | Release date: | 2004-04-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction. Acta Crystallogr.,Sect.D, 60, 2004
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1N51
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![BU of 1n51 by Molmil](/molmil-images/mine/1n51) | Aminopeptidase P in complex with the inhibitor apstatin | Descriptor: | MANGANESE (II) ION, Xaa-Pro aminopeptidase, apstatin | Authors: | Graham, S.C, Maher, M.J, Lee, M.H, Simmons, W.H, Freeman, H.C, Guss, J.M. | Deposit date: | 2002-11-03 | Release date: | 2003-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Escherichia coli aminopeptidase P in complex with the inhibitor apstatin. Acta Crystallogr.,Sect.D, 60, 2004
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1Q9E
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![BU of 1q9e by Molmil](/molmil-images/mine/1q9e) | RNase T1 variant with adenine specificity | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Guanyl-specific ribonuclease T1 precursor | Authors: | Czaja, R, Struhalla, M, Hoeschler, K, Saenger, W, Straeter, N, Hahn, U. | Deposit date: | 2003-08-25 | Release date: | 2004-03-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | RNase T1 Variant RV Cleaves Single-Stranded RNA after Purines Due to Specific Recognition by the Asn46 Side Chain Amide. Biochemistry, 43, 2004
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7MNG
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![BU of 7mng by Molmil](/molmil-images/mine/7mng) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | Descriptor: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2021-04-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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6MF0
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![BU of 6mf0 by Molmil](/molmil-images/mine/6mf0) | Crystal Structure Determination of Human/Porcine Chimera Coagulation Factor VIII | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (I) ION, ... | Authors: | Smith, I.W, Spiegel, P.C. | Deposit date: | 2018-09-07 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.19999886 Å) | Cite: | The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain. J.Thromb.Haemost., 18, 2020
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6MF2
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![BU of 6mf2 by Molmil](/molmil-images/mine/6mf2) | Improved Model of Human Coagulation Factor VIII | Descriptor: | CALCIUM ION, COPPER (I) ION, Coagulation factor VIII, ... | Authors: | Smith, I.W, Spiegel, P.C. | Deposit date: | 2018-09-08 | Release date: | 2019-09-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.609364 Å) | Cite: | The 3.2 angstrom structure of a bioengineered variant of blood coagulation factor VIII indicates two conformations of the C2 domain. J.Thromb.Haemost., 18, 2020
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6RPP
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![BU of 6rpp by Molmil](/molmil-images/mine/6rpp) | Crystal structure of PabCDC21-1 intein | Descriptor: | ACETATE ION, Cell division control protein, DI(HYDROXYETHYL)ETHER | Authors: | Mikula, K.M, Beyer, H.M, Iwai, H. | Deposit date: | 2019-05-14 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site. Extremophiles, 23, 2019
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8DSS
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![BU of 8dss by Molmil](/molmil-images/mine/8dss) | |
8E2N
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![BU of 8e2n by Molmil](/molmil-images/mine/8e2n) | |
8CGA
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![BU of 8cga by Molmil](/molmil-images/mine/8cga) | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G. | Deposit date: | 2023-02-03 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant To Be Published
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8G9B
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![BU of 8g9b by Molmil](/molmil-images/mine/8g9b) | Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-21 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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8G8F
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![BU of 8g8f by Molmil](/molmil-images/mine/8g8f) | Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-17 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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6MRV
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![BU of 6mrv by Molmil](/molmil-images/mine/6mrv) | Sialidase26 co-crystallized with DANA | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase26 | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K. | Deposit date: | 2018-10-15 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates. Nat Microbiol, 4, 2019
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6MNJ
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![BU of 6mnj by Molmil](/molmil-images/mine/6mnj) | Hadza microbial sialidase Hz136 | Descriptor: | Hz136 | Authors: | Rees, S.D, Zaramela, L, Zengler, K, Chang, G. | Deposit date: | 2018-10-01 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates. Nat Microbiol, 4, 2019
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6MRX
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![BU of 6mrx by Molmil](/molmil-images/mine/6mrx) | Sialidase26 apo | Descriptor: | Sialidase26 | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K. | Deposit date: | 2018-10-15 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates. Nat Microbiol, 4, 2019
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6ZNW
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![BU of 6znw by Molmil](/molmil-images/mine/6znw) | |
7U7O
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![BU of 7u7o by Molmil](/molmil-images/mine/7u7o) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional T-A rich sequence. | Descriptor: | DNA (5'-D(A*TP*AP*AP*TP*TP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*TP*AP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*AP*AP*T)-3'), MAGNESIUM ION, ... | Authors: | Ward, A.R, Snow, C.D. | Deposit date: | 2022-03-07 | Release date: | 2023-03-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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6RPQ
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![BU of 6rpq by Molmil](/molmil-images/mine/6rpq) | Crystal structure of PhoCDC21-1 intein | Descriptor: | Ubiquitin-like protein SMT3,1108aa long hypothetical cell division control protein | Authors: | Beyer, H.M, Mikula, K.M, Iwai, H. | Deposit date: | 2019-05-14 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.654 Å) | Cite: | Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site. Extremophiles, 23, 2019
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7UFX
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![BU of 7ufx by Molmil](/molmil-images/mine/7ufx) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional G-C rich sequence, respectively. | Descriptor: | DNA (5'-D(A*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(A*GP*TP*CP*CP*GP*GP*GP*CP*CP*G)-3'), ... | Authors: | Ward, A.R, Shields, E.T, Snow, C.D. | Deposit date: | 2022-03-23 | Release date: | 2023-03-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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7UR0
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![BU of 7ur0 by Molmil](/molmil-images/mine/7ur0) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional T-A rich sequence, respectively. | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*TP*AP*AP*TP*T)-3'), DNA (5'-D(A*GP*TP*AP*AP*TP*TP*AP*CP*CP*G)-3'), ... | Authors: | Orun, A.R, Snow, C.D. | Deposit date: | 2022-04-20 | Release date: | 2023-04-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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7UXY
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![BU of 7uxy by Molmil](/molmil-images/mine/7uxy) | Isoreticular, interpenetrating co-crystal of protein variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence. | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*P*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*P*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ... | Authors: | Orun, A.R, Snow, C.D. | Deposit date: | 2022-05-06 | Release date: | 2023-05-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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7PQO
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![BU of 7pqo by Molmil](/molmil-images/mine/7pqo) | Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin | Descriptor: | Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ... | Authors: | Harmat, V, Fodor, K, Heja, D. | Deposit date: | 2021-09-17 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.39 Å) | Cite: | Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation. J.Biol.Chem., 298, 2022
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7PUX
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![BU of 7pux by Molmil](/molmil-images/mine/7pux) | Structure of p97 N-D1(L198W) in complex with Fragment TROLL2 | Descriptor: | (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bothe, S, Schindelin, H. | Deposit date: | 2021-10-01 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97 Commun Chem, 5, 2022
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7QYH
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![BU of 7qyh by Molmil](/molmil-images/mine/7qyh) | |
8TIR
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![BU of 8tir by Molmil](/molmil-images/mine/8tir) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence with 1 sticky bases and 5' terminal phosphates. | Descriptor: | DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*G)-3'), MAGNESIUM ION, ... | Authors: | Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D. | Deposit date: | 2023-07-20 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Tuning chemical DNA ligation within DNA crystals and co-crystals. To Be Published
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