6XAH
 
 | | Structure of a Stable Interstrand DNA Crosslink Involving an dA Amino Group and an Abasic Site | | Descriptor: | DNA (5'-D(*TP*AP*GP*AP*TP*GP*AP*AP*CP*(AAB)P*TP*AP*GP*AP*CP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*GP*TP*CP*TP*AP*AP*GP*TP*TP*CP*AP*TP*CP*TP*A)-3') | | Authors: | Kellum Jr, A.H, Qiu, D, Voehler, M.W, Martin, W.J, Gates, K.S, Stone, M.P. | | Deposit date: | 2020-06-04 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of a Stable Interstrand DNA Cross-Link Involving a beta- N -Glycosyl Linkage Between an N 6 -dA Amino Group and an Abasic Site.
Biochemistry, 60, 2021
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4ZR6
 | | Lymnaea Stagnalis Acetylcholine Binding Protein in Complex with 3-[(4E)-4-[(3-methylimidazol-4-yl)methylene]-2,3-dihydropyrrol-5-yl]pyridine | | Descriptor: | 3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine, Acetylcholine-binding protein | | Authors: | Bobango, J, Bryant, D, Denton, T.T, Talley, T.T. | | Deposit date: | 2015-05-11 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-guided design and analysis of arylidene anabaseines and myosmines
To be Published
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6IC6
 | | Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 | | Descriptor: | (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | Deposit date: | 2018-12-02 | | Release date: | 2019-04-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
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6Y0N
 | | Arginine hydroxylase VioC in complex with Arg, 2OG and Fe under anaerobic environment using FT-SSX methods | | Descriptor: | 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, S.A, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | Deposit date: | 2020-02-10 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6YAF
 | | AP2 on a membrane containing tyrosine-based cargo peptide | | Descriptor: | AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | Authors: | Kovtun, O, Kane Dickson, V, Kelly, B.T, Owen, D, Briggs, J.A.G. | | Deposit date: | 2020-03-12 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (9.1 Å) | | Cite: | Architecture of the AP2/clathrin coat on the membranes of clathrin-coated vesicles.
Sci Adv, 6, 2020
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6IZ5
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6YPV
 | | Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe and AKG after oxygen exposure using FT-SSX methods | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION | | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | Deposit date: | 2020-04-16 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6YAI
 | | Clathrin with bound beta2 appendage of AP2 | | Descriptor: | AP-2 complex subunit beta, Clathrin heavy chain, Clathrin light chain | | Authors: | Kovtun, O, Kane Dickson, V, Kelly, B.T, Owen, D, Briggs, J.A.G. | | Deposit date: | 2020-03-12 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (9.2 Å) | | Cite: | Architecture of the AP2/clathrin coat on the membranes of clathrin-coated vesicles.
Sci Adv, 6, 2020
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6Y12
 | | Arginine hydroxylase VioC in complex with (3S)-OH-Arg, succinate and Fe after oxygen exposure using FT-SSX methods | | Descriptor: | (2S,3S)-3-HYDROXYARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (III) ION, ... | | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | Deposit date: | 2020-02-11 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6YJ5
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6GVS
 | | Engineered glycolyl-CoA reductase comprising 8 mutations with bound NADP+ | | Descriptor: | Aldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION | | Authors: | Zarzycki, J, Trudeau, D, Scheffen, M, Erb, T.J, Tawfik, D.S. | | Deposit date: | 2018-06-21 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.579 Å) | | Cite: | Design and in vitro realization of carbon-conserving photorespiration.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6YQN
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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6Y0Q
 | | Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe, AKG and methylated DNA under anaerobic environment using FT-SSX methods | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ... | | Authors: | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | Deposit date: | 2020-02-10 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6Y6H
 | | Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe | | Descriptor: | 1,2-ETHANEDIOL, 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-26 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
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6Y6F
 | | Crystal structure of STK17B (DRAK2) in complex with PKIS43 | | Descriptor: | 1,2-ETHANEDIOL, 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-26 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
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6YQP
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22 | | Descriptor: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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6J7W
 | | Crystal Structure of Human BCMA in complex with UniAb(TM) VH | | Descriptor: | Tumor necrosis factor receptor superfamily member 17, UniAb | | Authors: | Clarke, S.C, Ma, B, Trinklein, N.D, Schellenberger, U, Osborn, M, Ouisse, L, Boudreau, A, Davison, L, Harris, K.E, Ugamraj, H, Balasubramani, A, Dang, K, Jorgensen, B, Ogana, H, Pham, D, Pratap, P, Sankaran, P, Anegon, I, van Schooten, W, Bruggemann, M, Buelow, R, Force Aldred, S. | | Deposit date: | 2019-01-18 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Multispecific Antibody Development Platform Based on Human Heavy Chain Antibodies
Front Immunol, 9, 2018
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6YQO
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12 | | Descriptor: | (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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6YJ4
 | | Structure of Yarrowia lipolytica complex I at 2.7 A | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), Acyl carrier protein ACPM2 of NADH:Ubiquinone Oxidoreductase (Complex I), ... | | Authors: | Hirst, J, Grba, D. | | Deposit date: | 2020-04-02 | | Release date: | 2020-08-12 | | Last modified: | 2021-03-17 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Mitochondrial complex I structure reveals ordered water molecules for catalysis and proton translocation.
Nat.Struct.Mol.Biol., 27, 2020
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6YAH
 | | AP2 in clathrin coats assembled on a membrane containing dileucine- and tyrosine-based cargo peptides | | Descriptor: | AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | Authors: | Kovtun, O, Kane Dickson, V, Kelly, B.T, Owen, D, Briggs, J.A.G. | | Deposit date: | 2020-03-12 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (10.2 Å) | | Cite: | Architecture of the AP2/clathrin coat on the membranes of clathrin-coated vesicles.
Sci Adv, 6, 2020
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1H8I
 | | X-ray crystal structure of human alpha-thrombin with a tripeptide phosphonate inhibitor. | | Descriptor: | HIRUDIN I, N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide, THROMBIN | | Authors: | Skordalakes, E, Dodson, G.G, Green, D, Deadman, J. | | Deposit date: | 2001-02-08 | | Release date: | 2001-03-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate
J.Mol.Biol., 311, 2001
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5C7I
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6Y7S
 | | 2.85 A cryo-EM structure of the in vivo assembled type 1 pilus rod | | Descriptor: | Type-1 fimbrial protein, A chain | | Authors: | Zyla, D, Hospenthal, M, Waksman, G, Glockshuber, R. | | Deposit date: | 2020-03-02 | | Release date: | 2021-03-31 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | The assembly platform FimD is required to obtain the most stable quaternary structure of type 1 pili.
Nat Commun, 15, 2024
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5C7O
 | | Structure of human testis-specific glyceraldehyde-3-phosphate dehydrogenase holo form with NAD+ | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, testis-specific, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Betts, L, Machius, M, Danshina, P, O'Brien, D. | | Deposit date: | 2015-06-24 | | Release date: | 2016-03-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.729 Å) | | Cite: | Structural analyses to identify selective inhibitors of glyceraldehyde 3-phosphate dehydrogenase-S, a sperm-specific glycolytic enzyme.
Mol. Hum. Reprod., 22, 2016
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5CAC
 | | REFINED STRUCTURE OF HUMAN CARBONIC ANHYDRASE II AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | CARBONIC ANHYDRASE FORM C, SULFITE ION, ZINC ION | | Authors: | Lindahl, M, Habash, D, Harrop, S, Helliwell, D.R, Liljas, A. | | Deposit date: | 1991-09-05 | | Release date: | 1994-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Refined structure of human carbonic anhydrase II at 2.0 A resolution.
Proteins, 4, 1988
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