6J9W
 
 | | Crystal structure of ABC transporter alpha-glycoside-binding protein in complex with trehalose | | Descriptor: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | | Deposit date: | 2019-01-24 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
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6JAD
 | | Crystal structure of ABC transporter alpha-glycoside-binding protein in complex with palatinose | | Descriptor: | ABC transporter, periplasmic substrate-binding protein, CITRIC ACID, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | | Deposit date: | 2019-01-24 | | Release date: | 2019-10-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
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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 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
To Be Published
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5FEX
 | | HydE from T. maritima in complex with Se-adenosyl-L-selenocysteine (tfinal of the reaction) | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CHLORIDE ION, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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6RPV
 | | Extremely stable monomeric variant of human cystatin C with single amino acid substitution | | Descriptor: | Cystatin-C | | Authors: | Zhukov, I, Rodziewicz-Motowidlo, S, Maszota-Zieleniak, M, Jurczak, P, Kozak, M. | | Deposit date: | 2019-05-14 | | Release date: | 2019-07-31 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
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5A78
 | | Crystal structure of the homing endonuclease I-CvuI in complex with I- CreI target (C1221) in the presence of 2 mM Mg revealing DNA not cleaved | | Descriptor: | 24MER DNA, 5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP *CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', DNA ENDONUCLEASE I-CVUI, ... | | Authors: | Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | | Deposit date: | 2015-07-03 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification
J.Biol.Chem., 290, 2015
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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 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
To Be Published
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5FSS
 | | Structure of thermolysin prepared by the 'soak-and-freeze' method under 40 bar of krypton pressure | | Descriptor: | CALCIUM ION, GLYCEROL, KRYPTON, ... | | Authors: | Lafumat, B, Mueller-Dieckmann, C, Colloc'h, N, Prange, T, Royant, A, van der Linden, P, Carpentier, P. | | Deposit date: | 2016-01-07 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Gas-Sensitive Biological Crystals Processed in Pressurized Oxygen and Krypton Atmospheres: Deciphering Gas Channels in Proteins Using a Novel `Soak-and-Freeze' Methodology.
J.Appl.Crystallogr., 49, 2016
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6YAK
 | | Split gene transketolase, active alpha2beta2 heterotetramer | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, C-terminal component of the split chain transketolase, ... | | Authors: | Isupov, M.N, Littlechild, J.A, James, P. | | Deposit date: | 2020-03-12 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | A 'Split-Gene' Transketolase From the Hyper-Thermophilic Bacterium Carboxydothermus hydrogenoformans : Structure and Biochemical Characterization.
Front Microbiol, 11, 2020
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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 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
To Be Published
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6AES
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6EQY
 | | 4th KOW domain of human hSpt5 | | Descriptor: | Transcription elongation factor SPT5 | | Authors: | Zuber, P.K, Schweimer, K, Roesch, P, Woehrl, B.M. | | Deposit date: | 2017-10-16 | | Release date: | 2018-10-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF.
Sci Rep, 8, 2018
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5FD7
 | | X-ray Crystal Structure of ESCRT-III Snf7 core domain (conformation A) | | Descriptor: | Vacuolar-sorting protein SNF7 | | Authors: | Tang, S, Henne, W.M, Borbat, P.P, Buchkovich, N.J, Freed, J.H, Mao, Y, Fromme, J.C, Emr, S.D. | | Deposit date: | 2015-12-15 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for activation, assembly and membrane binding of ESCRT-III Snf7 filaments.
Elife, 4, 2015
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7NIV
 | | Nanodisc reconstituted human ABCB4 in complex with 4B1-Fab and QA2-Fab (phosphatidylcholine-bound, occluded conformation) | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4B1 Fab-fragment light chain, CHOLESTEROL, ... | | Authors: | Nosol, K, Locher, K.P. | | Deposit date: | 2021-02-14 | | Release date: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of ABCB4 provide insight into phosphatidylcholine translocation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6S9N
 | | Designed Armadillo Repeat protein Lock2 fused to target peptide KRKRKAKLSF | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Lock2_KRKRKAKLSF | | Authors: | Ernst, P, Zosel, F, Reichen, C, Schuler, B, Pluckthun, A. | | Deposit date: | 2019-07-15 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design of a Peptide Lock for Modular Peptide Binders.
Acs Chem.Biol., 15, 2020
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6GOM
 | | KRAS-169 Q61H GPPNHP + PPIN-1 | | Descriptor: | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1K3X
 | | Crystal structure of a trapped reaction intermediate of the DNA repair enzyme Endonuclease VIII with Brominated-DNA | | Descriptor: | 5'-D(*CP*CP*AP*GP*GP*AP*(PED)P*GP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*(BRU)P*(BRU)P*CP*AP*(BRU)P*CP*CP*(BRU)P*GP*G)-3', Endonuclease VIII, ... | | Authors: | Golan, G, Zharkov, D.O, Gilboa, R, Fernandes, A.S, Kycia, J.H, Gerchman, S.E, Rieger, R.A, Grollman, A.P, Shoham, G. | | Deposit date: | 2001-10-04 | | Release date: | 2002-10-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural analysis of an Escherichia coli endonuclease VIII covalent reaction intermediate.
EMBO J., 21, 2002
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5FEW
 | | HydE from T. maritima in complex with S-adenosyl-L-cysteine (final product) | | Descriptor: | (2R,4R)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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5FF3
 | | HydE from T. maritima in complex with 4R-TCA | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y. | | Deposit date: | 2015-12-17 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
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6ERP
 | | Structure of the human mitochondrial transcription initiation complex at the LSP promoter | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, Dimethyladenosine transferase 2, ... | | Authors: | Hillen, H.S, Morozov, Y.I, Sarfallah, A, Temiakov, D, Cramer, P. | | Deposit date: | 2017-10-18 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (4.502 Å) | | Cite: | Structural Basis of Mitochondrial Transcription Initiation.
Cell, 171, 2017
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7NIW
 | | Nanodisc reconstituted human ABCB4 in complex with 4B1-Fab (posaconazole-bound, inward-open conformation) | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4B1 Fab-fragment heavy chain, 4B1 Fab-fragment light chain, ... | | Authors: | Nosol, K, Locher, K.P. | | Deposit date: | 2021-02-14 | | Release date: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structures of ABCB4 provide insight into phosphatidylcholine translocation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5FG6
 | | Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe | | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide, Bromodomain-containing protein 1, ... | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Savitsky, P, Chaikuad, A, Fedorov, O, Nunez-Alonso, G, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | | Deposit date: | 2015-12-20 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical probe
To Be Published
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2UZB
 | | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | | Descriptor: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2 | | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | Deposit date: | 2007-04-27 | | Release date: | 2007-06-26 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
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2UZD
 | | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | | Descriptor: | 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | Deposit date: | 2007-04-27 | | Release date: | 2007-06-26 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
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1BLA
 | | BASIC FIBROBLAST GROWTH FACTOR (FGF-2) MUTANT WITH CYS 78 REPLACED BY SER AND CYS 96 REPLACED BY SER, NMR | | Descriptor: | BASIC FIBROBLAST GROWTH FACTOR | | Authors: | Powers, R, Seddon, A.P, Bohlen, P, Moy, F.J. | | Deposit date: | 1996-05-20 | | Release date: | 1996-11-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High-resolution solution structure of basic fibroblast growth factor determined by multidimensional heteronuclear magnetic resonance spectroscopy.
Biochemistry, 35, 1996
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