8OJ1
 
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8AHX
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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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8B76
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9HAA
 | | a5b3 GABAA Receptor resting state | | 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-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cowgill, J, Fan, C, Howard, R.J, Lindahl, E. | | Deposit date: | 2024-11-02 | | Release date: | 2025-11-12 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Structural basis for activation and potentiation in a human a5b3 GABAA receptor
To Be Published
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6Y10
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126H | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase | | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2020-02-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
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8OJW
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6UD4
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9BRO
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8ATB
 | | Discovery of IRAK4 Inhibitor 16 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-08-22 | | Release date: | 2023-11-29 | | Last modified: | 2026-03-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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6UDZ
 | | S2 symmetric peptide design number 4 crystal form 1, Pugsley | | Descriptor: | S2-4, Pusgley crystal form 1, trifluoroacetic acid | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-20 | | Release date: | 2020-09-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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6Y18
 | | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3 | | Descriptor: | 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | | Authors: | Somsen, B.A, Ottmann, C. | | Deposit date: | 2020-02-11 | | Release date: | 2020-11-18 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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9HS1
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9C2G
 | | ISOBUTYLENE EPOXIDE HYDROLASE FROM MYCOLICIBACTERIUM | | Descriptor: | GLYCEROL, Isobutylene epoxide hydrolase, MAGNESIUM ION, ... | | Authors: | Rose, R.B, Swartz, P, Faulkner, N.W. | | Deposit date: | 2024-05-30 | | Release date: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Characterization of an isobutylene epoxide hydrolase (IbcK) from the isobutylene-catabolizing bacterium Mycolicibacterium sp. ELW1.
Appl.Environ.Microbiol., 91, 2025
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8OOM
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | Descriptor: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACETATE ION, GdmF | | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | Deposit date: | 2023-04-05 | | Release date: | 2024-04-17 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure and function of the geldanamycin amide synthase from Streptomyces hygroscopicus.
Nat Commun, 16, 2025
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6Y1E
 | | Crystal structure of human glutathione transferase P1-1 (hGSTP1-1) that was co-crystallised in the presence of indanyloxyacetic acid-94 (IAA-94) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid, GLUTATHIONE, ... | | Authors: | Pandian, R, Worth, R, Thangaraj, V, Sayed, Y, Dirr, H.W. | | Deposit date: | 2020-02-12 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | The interaction of IAA-94 with the soluble conformation of the CLIC1 protein and its structural homolog hGSTP1-1
To Be Published
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6UE3
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8AHY
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9BLQ
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8P75
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-down conformation) | | Descriptor: | (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8ALH
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8P74
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0880 (ring-up conformation) | | Descriptor: | (2S,3S)-3-[[7-[(2-bromophenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-05-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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6Y1W
 | | Xcc4156, a flavin-dependent halogenase from Xanthomonas campestris | | Descriptor: | (2S,3S)-butane-2,3-diol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, L(+)-TARTARIC ACID, ... | | Authors: | Widmann, C, Ismail, M, Sewald, N, Niemann, H.H. | | Deposit date: | 2020-02-14 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of apo flavin-dependent halogenase Xcc4156 hints at a reason for cofactor-soaking difficulties.
Acta Crystallogr D Struct Biol, 76, 2020
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6UYK
 | | Dark-operative protochlorophyllide oxidoreductase in the nucleotide-free form. | | Descriptor: | CHLORIDE ION, IRON/SULFUR CLUSTER, Light-independent protochlorophyllide reductase iron-sulfur ATP-binding protein | | Authors: | Bacik, J.P, Imran, S.M.S, Watkins, M.B, Corless, E, Antony, E, Ando, N. | | Deposit date: | 2019-11-13 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The flexible N-terminus of BchL autoinhibits activity through interaction with its [4Fe-4S] cluster and released upon ATP binding.
J.Biol.Chem., 296, 2020
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9C13
 | | XMAP215 TOG5 interaction with GMPCPP tubulin lattice | | Descriptor: | Cytoskeleton-associated protein 5-A,Cytoskeleton-associated protein 5-A,Green fluorescent protein, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | McManus, C.T, Travis, S.M, Jeffrey, P.D, Zhang, R, Petry, S. | | Deposit date: | 2024-05-28 | | Release date: | 2025-11-05 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structure and function of XMAP215s C terminal domains in microtubule nucleation
To Be Published
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