4CRC
 
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | Descriptor: | (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide, COAGULATION FACTOR XI, SULFATE ION | | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | Deposit date: | 2014-02-26 | | Release date: | 2015-02-11 | | Last modified: | 2015-08-19 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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4CRA
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | Descriptor: | COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ... | | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | Deposit date: | 2014-02-26 | | Release date: | 2015-02-11 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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4CRB
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | Descriptor: | COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ... | | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | Deposit date: | 2014-02-26 | | Release date: | 2015-02-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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4CRD
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | Descriptor: | COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION | | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | Deposit date: | 2014-02-26 | | Release date: | 2015-02-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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6N2P
 | | Helical assembly of the CARD9 CARD | | Descriptor: | Caspase recruitment domain-containing protein 9 | | Authors: | Holliday, M.J, Rohou, A, Arthur, C.P, Dueber, E.C, Fairbrother, W.J. | | Deposit date: | 2018-11-13 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures of autoinhibited and polymerized forms of CARD9 reveal mechanisms of CARD9 and CARD11 activation.
Nat Commun, 10, 2019
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5KIF
 | | Structural impact of single ribonucleotides in DNA | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3'), DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3') | | Authors: | Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W. | | Deposit date: | 2016-06-16 | | Release date: | 2016-08-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Impact of Single Ribonucleotide Residues in DNA.
Chembiochem, 17, 2016
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4CMV
 | | Crystal structure of Rv3378c | | Descriptor: | CITRIC ACID, DITERPENE SYNTHASE, MERCURY (II) ION | | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | | Deposit date: | 2014-01-18 | | Release date: | 2014-02-19 | | Last modified: | 2014-03-12 | | Method: | X-RAY DIFFRACTION (2.307 Å) | | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CRF
 | | Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design | | Descriptor: | CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ... | | Authors: | Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A. | | Deposit date: | 2014-02-26 | | Release date: | 2015-02-11 | | Last modified: | 2022-05-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
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4CH8
 | | High-salt crystal structure of a thrombin-GpIbalpha peptide complex | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ... | | Authors: | Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A. | | Deposit date: | 2013-11-29 | | Release date: | 2013-12-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Gpibalpha Interacts Exclusively with Exosite II of Thrombin
J.Mol.Biol., 426, 2014
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4CKV
 | | Crystal structure of VEGFR-1 domain 2 in presence of Zn | | Descriptor: | 1,2-ETHANEDIOL, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1, ZINC ION | | Authors: | Gaucher, J.-F, Reille-Seroussi, M, Gagey-Eilstein, N, Broussy, S, Coric, P, Seijo, B, Lascombe, M.-B, Gautier, B, Liu, W.-Q, Huguenot, F, Inguimbert, N, Bouaziz, S, Vidal, M, Broutin, I. | | Deposit date: | 2014-01-09 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.055 Å) | | Cite: | Biophysical Studies of the Induced Dimerization of Human Vegf R Receptor 1 Binding Domain by Divalent Metals Competing with Vegf-A
Plos One, 11, 2016
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4CNL
 | | Crystal structure of the Choline-binding domain of CbpL from Streptococcus pneumoniae | | Descriptor: | CHOLINE ION, GLYCEROL, PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN, ... | | Authors: | Gutierrez-Fernandez, J, Bartual, S.G, Hermoso, J.A. | | Deposit date: | 2014-01-23 | | Release date: | 2015-02-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Modular Architecture and Unique Teichoic Acid Recognition Features of Choline-Binding Protein L (Cbpl) Contributing to Pneumococcal Pathogenesis.
Sci.Rep., 6, 2016
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6NNR
 | | high-resolution structure of wild-type E. coli thymidylate synthase | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Stroud, R.M, Finer-Moore, J. | | Deposit date: | 2019-01-15 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site.
J. Am. Chem. Soc., 135, 2013
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5KGV
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5KI4
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6NVA
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5KCN
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7B3U
 | | OXA-10 beta-lactamase with covalent modification | | Descriptor: | Beta-lactamase OXA-10, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2020-12-01 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7B3S
 | | OXA-10 beta-lactamase with S67Dha modification | | Descriptor: | Beta-lactamase OXA-10, CARBON DIOXIDE, SODIUM ION, ... | | Authors: | Lang, P.A, Brem, J, Schofield, C.J. | | Deposit date: | 2020-12-01 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7B3R
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5JXY
 | | Enzyme-substrate complex of TDG catalytic domain bound to a G/U analog | | Descriptor: | DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | | Authors: | Pidugu, L.S, Pozharski, E, Malik, S.S, Drohat, A.C. | | Deposit date: | 2016-05-13 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
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6NPR
 | | Crystal structure of H-2Dd with C84-C139 disulfide in complex with gp120 derived peptide P18-I10 | | Descriptor: | ARG-GLY-PRO-GLY-ARG-ALA-PHE-VAL-THR-ILE, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Toor, J, McShan, A.C, Tripathi, S.M, Sgourakis, N.G. | | Deposit date: | 2019-01-18 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4EJ1
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6NJQ
 | | Structure of TBP-Hoogsteen containing DNA complex | | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*GP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1 | | Authors: | Schumacher, M.A, Stelling, A. | | Deposit date: | 2019-01-04 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Infrared Spectroscopic Observation of a G-C+Hoogsteen Base Pair in the DNA:TATA-Box Binding Protein Complex Under Solution Conditions.
Angew.Chem.Int.Ed.Engl., 58, 2019
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5KI7
 | | Structural impact of single ribonucleotides in DNA | | Descriptor: | DNA (5'-D(*CP*TP*AP*CP*CP*GP*GP*AP*T)-3'), DNA/RNA (5'-D(*AP*TP*CP*C)-R(P*G)-D(P*GP*TP*AP*G)-3') | | Authors: | Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W. | | Deposit date: | 2016-06-16 | | Release date: | 2016-08-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Impact of Single Ribonucleotide Residues in DNA.
Chembiochem, 17, 2016
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5KI5
 | | Structural impact of single ribonucleotides in DNA | | Descriptor: | DNA (5'-D(*CP*AP*GP*GP*CP*CP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*CP*CP*TP*G)-3') | | Authors: | Evich, M, Spring-Connell, A.M, Storici, F, Germann, M.W. | | Deposit date: | 2016-06-16 | | Release date: | 2016-08-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Impact of Single Ribonucleotide Residues in DNA.
Chembiochem, 17, 2016
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