8C69
 
 | | Light SFX structure of D.m(6-4)photolyase at 100 microsecond time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6A
 | | Light SFX structure of D.m(6-4)photolyase at 1ps time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6B
 | | Light SFX structure of D.m(6-4)photolyase at 20ps time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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8C6F
 | | Light SFX structure of D.m(6-4)photolyase at 400fs time delay | | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | | Deposit date: | 2023-01-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography.
Nat.Chem., 16, 2024
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7T1T
 | | JAK2 JH2 IN COMPLEX WITH JAK292 | | Descriptor: | (2S)-2-[({4-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}carbamoyl)amino]-4-phenylbutanoic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Ippolito, J.A, Henry, S, Krimmer, S.G, Schlessinger, J, Jorgensen, W.L. | | Deposit date: | 2021-12-02 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Conversion of a False Virtual Screen Hit into Selective JAK2 JH2 Domain Binders Using Convergent Design Strategies
Acs Med.Chem.Lett., 13, 2022
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7T0P
 | | JAK2 JH2 IN COMPLEX WITH JAK315 | | Descriptor: | 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid, GLYCEROL, Tyrosine-protein kinase JAK2 | | Authors: | Ippolito, J.A, Liosi, M.-E, Krimmer, S.G, Schlessinger, J, Jorgensen, W.L. | | Deposit date: | 2021-11-30 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Insights on JAK2 Modulation by Potent, Selective, and Cell-Permeable Pseudokinase-Domain Ligands.
J.Med.Chem., 65, 2022
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2ZNH
 | | Crystal Structure of a Domain-Swapped Serpin Dimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, ... | | Authors: | Yamasaki, M, Huntington, J.A. | | Deposit date: | 2008-04-25 | | Release date: | 2008-10-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a stable dimer reveals the molecular basis of serpin polymerization
Nature, 455, 2008
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8C8B
 | | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 48). | | Descriptor: | 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide, DNA cross-link repair 1A protein, ZINC ION | | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | Deposit date: | 2023-01-19 | | Release date: | 2024-01-31 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
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8C8S
 | | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). | | Descriptor: | (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | Deposit date: | 2023-01-20 | | Release date: | 2024-01-31 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
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8C8D
 | | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44). | | Descriptor: | (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | Deposit date: | 2023-01-19 | | Release date: | 2024-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
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8CEW
 | | Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1 | | Descriptor: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | Deposit date: | 2023-02-02 | | Release date: | 2024-02-21 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
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8CF0
 | | Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2 | | Descriptor: | 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | Deposit date: | 2023-02-02 | | Release date: | 2024-02-21 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
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7SZU
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8CG9
 | | Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor | | Descriptor: | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione, DNA cross-link repair 1A protein, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-21 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
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1TTC
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368D
 | | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3') | | Authors: | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L, Malinina, L. | | Deposit date: | 1997-12-19 | | Release date: | 1998-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
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391D
 | | STRUCTURAL VARIABILITY AND NEW INTERMOLECULAR INTERACTIONS OF Z-DNA IN CRYSTALS OF D(PCPGPCPGPCPG) | | Descriptor: | DNA (5'-D(P*CP*GP*CP*GP*CP*G)-3') | | Authors: | Malinina, L, Tereshko, V, Ivanova, E, Subirana, J.A, Zarytova, V, Nekrasov, Y. | | Deposit date: | 1998-04-20 | | Release date: | 1998-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural variability and new intermolecular interactions of Z-DNA in crystals of d(pCpGpCpGpCpG).
Biophys.J., 74, 1998
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8DGG
 | | Structure of glycosylated LAG-3 homodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Silberstein, J.L, Mathews, I.I, Frank, J.A, Chan, K.-W, Fernandez, D, Du, J, Wang, J, Kong, X.-P, Cochran, J.R. | | Deposit date: | 2022-06-23 | | Release date: | 2022-08-17 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (3.78 Å) | | Cite: | Structural insights reveal interplay between LAG-3 homodimerization, ligand binding, and function.
Proc.Natl.Acad.Sci.USA, 121, 2024
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371D
 | | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3') | | Authors: | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | | Deposit date: | 1997-12-19 | | Release date: | 1998-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
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399D
 | | STRUCTURE OF D(CGCCCGCGGGCG) | | Descriptor: | DNA (5'-D(*CP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*G)-3') | | Authors: | Malinina, L, Fernandez, L.G, Subirana, J.A. | | Deposit date: | 1998-05-11 | | Release date: | 1999-01-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the d(CGCCCGCGGGCG) dodecamer: a kinked A-DNA molecule showing some B-DNA features.
J.Mol.Biol., 285, 1999
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370D
 | | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3'), MAGNESIUM ION | | Authors: | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | | Deposit date: | 1997-12-19 | | Release date: | 1998-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
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392D
 | | STRUCTURAL VARIABILITY AND NEW INTERMOLECULAR INTERACTIONS OF Z-DNA IN CRYSTALS OF D(PCPGPCPGPCPG) | | Descriptor: | DNA (5'-D(P*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Malinina, L, Tereshko, V, Ivanova, E, Subirana, J.A, Zarytova, V, Nekrasov, Y. | | Deposit date: | 1998-04-20 | | Release date: | 1998-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural variability and new intermolecular interactions of Z-DNA in crystals of d(pCpGpCpGpCpG).
Biophys.J., 74, 1998
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369D
 | | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3') | | Authors: | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | | Deposit date: | 1997-12-19 | | Release date: | 1998-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG)
J.Biomol.Struct.Dyn., 15, 1997
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8DCN
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8DCM
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