9R1P
 
 | | Crystal structure of STUB1 complexed with a compound molecule | | Descriptor: | 1-[3-[1-methyl-4-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea, E3 ubiquitin-protein ligase CHIP | | Authors: | Chu, Y, Jiang, H. | | Deposit date: | 2025-04-28 | | Release date: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A rapid imaging-based screen for induced-proximity degraders identifies a potent degrader of oncoprotein SKP2.
Nat.Biotechnol., 2025
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3DFN
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5YRC
 | | Crystal Structure of Oxidized Cypovirus Polyhedra R13A/E73C/Y83C Mutant | | Descriptor: | 1,2-ETHANEDIOL, Polyhedrin | | Authors: | Negishi, H, Abe, S, Yamashita, K, Hirata, K, Niwase, K, Boudes, M, Coulibaly, F, Mori, H, Ueno, T. | | Deposit date: | 2017-11-09 | | Release date: | 2018-02-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Supramolecular protein cages constructed from a crystalline protein matrix
Chem. Commun. (Camb.), 54, 2018
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3DCW
 | | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | | Descriptor: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | | Deposit date: | 2008-06-04 | | Release date: | 2009-03-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
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7T6W
 | | Crystal structure of Chaetomium Glucosidase I (apo) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, GLYCEROL, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-12-14 | | Release date: | 2022-05-04 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification of Endoplasmic Reticulum alpha-Glucosidase I from a Thermophilic Fungus as a Platform for Structure-Guided Antiviral Drug Design.
Biochemistry, 61, 2022
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9MMQ
 | | Cryo-EM structure of CRAF/MEK1 complex (kinase domain) | | Descriptor: | 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Jang, D.M, Jeon, H, Eck, M.J. | | Deposit date: | 2024-12-20 | | Release date: | 2025-09-10 | | Last modified: | 2025-10-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of CRAF/MEK1/14-3-3 complexes in autoinhibited and open-monomer states reveal features of RAF regulation.
Nat Commun, 16, 2025
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9UYI
 | | Cryo-EM structure of the G protein-coupled receptor 1 (GPR1) bound to chemerin and beta-arrestin 1 (Conformation 2) | | Descriptor: | Beta-arrestin-1, Chemerin-like receptor 2,Vasopressin V2 receptor, Nanobody 32, ... | | Authors: | Cai, H, Lin, X, Zhao, L, He, M, Yu, J, Zhang, B, Ma, Y, Xie, C, Shui, W, Zhao, Q, Zhu, Y, Wu, B. | | Deposit date: | 2025-05-15 | | Release date: | 2025-11-19 | | Last modified: | 2025-12-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Noncanonical agonist-dependent and -independent arrestin recruitment of GPR1.
Science, 390, 2025
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9OXN
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9R0Y
 | | Crystal structure of NDM-1 with thiol compound 22b | | Descriptor: | Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2025-04-24 | | Release date: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Repurposing of compound libraries yields new inhibitors of NDM-1 metallo-beta-lactamase with diverse zinc-binding moieties
Eur J Med Chem Rep, 15, 2025
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8BHK
 | | GABA-A receptor a5 homomer - a5V3 - Diazepam | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-CHLORO-1-METHYL-5-PHENYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, Gamma-aminobutyric acid receptor subunit alpha-5 | | Authors: | Miller, P.S, Malinauskas, T.M, Kasaragod, V.B, Chirgadze, D.Y. | | Deposit date: | 2022-10-31 | | Release date: | 2023-11-01 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
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6PHB
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9QPZ
 | | KRAS-WT(1-169) - GDP IN COMPLEX WITH compound (R)-1 | | Descriptor: | (4~{R})-4-[[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]carbonyl]-3,3-dimethyl-oxetan-2-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Ostermann, N. | | Deposit date: | 2025-03-31 | | Release date: | 2025-07-23 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (1.312 Å) | | Cite: | Promise and Challenge of beta-Lactone Electrophiles to Target Aspartate 12 of Mutant KRAS G12D .
J.Med.Chem., 68, 2025
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3D9V
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9F0I
 | | Human Cyclophilin D in complex with fragment | | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide | | Authors: | Silva, D.O, Graedler, U, Bandeiras, T.M. | | Deposit date: | 2024-04-16 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Human Cyclophilin D in complex with fragment
To Be Published
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9QNV
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole, Bromodomain-containing protein 4, ... | | Authors: | Krojer, T, Martinez-Cartro, M, Picaud, S, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Barril, X, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2025-03-25 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.226 Å) | | Cite: | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX with compound 2
To Be Published
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7PPL
 | | SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636) | | Descriptor: | ETHANOL, GLYCEROL, Insulin receptor substrate 1, ... | | Authors: | Sok, P, Zeke, A, Remenyi, A. | | Deposit date: | 2021-09-14 | | Release date: | 2022-09-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
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6FPN
 | | Lytic transglycosylase in action | | Descriptor: | Putative soluble lytic murein transglycosylase, SULFATE ION | | Authors: | Williams, A.H, Hoauz, A, Boneca, I.G. | | Deposit date: | 2018-02-11 | | Release date: | 2018-03-14 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | A step-by-stepin crystalloguide to bond cleavage and 1,6-anhydro-sugar product synthesis by a peptidoglycan-degrading lytic transglycosylase.
J. Biol. Chem., 293, 2018
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9UYL
 | | Cryo-EM structure of the G protein-coupled receptor 1 (GPR1) bound to chemerin and beta-arrestin 1 (Conformation 4) | | Descriptor: | Beta-arrestin-1, Chemerin-like receptor 2,Vasopressin V2 receptor, Nanobody 32, ... | | Authors: | Cai, H, Lin, X, Zhao, L, He, M, Yu, J, Zhang, B, Ma, Y, Xie, C, Shui, W, Zhao, Q, Zhu, Y, Wu, B. | | Deposit date: | 2025-05-15 | | Release date: | 2025-11-19 | | Last modified: | 2025-12-03 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Noncanonical agonist-dependent and -independent arrestin recruitment of GPR1.
Science, 390, 2025
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6RXN
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9RI0
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5YR9
 | | Crystal Structure of Cypovirus Polyhedra R13A/E73C/Y83C Mutant | | Descriptor: | 1,2-ETHANEDIOL, Polyhedrin | | Authors: | Negishi, H, Abe, S, Yamashita, K, Hirata, K, Niwase, K, Boudes, M, Coulibaly, F, Mori, H, Ueno, T. | | Deposit date: | 2017-11-08 | | Release date: | 2018-02-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Supramolecular protein cages constructed from a crystalline protein matrix
Chem. Commun. (Camb.), 54, 2018
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9V6O
 | | Cryo-EM structure of human kappa opioid receptor - G protein signaling complex bound with nalfurafine. | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Suno-Ikeda, C, Takai, T, Hirose, M, Inoue, A, Sugita, Y, Kato, T, Kobayashi, T, Suno, R. | | Deposit date: | 2025-05-27 | | Release date: | 2025-11-19 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural and dynamic insights into the biased signaling mechanism of the human kappa opioid receptor.
Nat Commun, 16, 2025
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9F0Q
 | | VIM-2 in complex with GKV53 (5d) - dynamically chiral phosphonic acid-type metallo-beta-lactamase inhibitors | | Descriptor: | FORMIC ACID, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Bartels, K, Prester, A, Bosman, R, Gulyas, K.V, Erdelyi, M, Schulz, E.C. | | Deposit date: | 2024-04-17 | | Release date: | 2025-04-30 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Dynamically chiral phosphonic acid-type metallo-beta-lactamase inhibitors.
Commun Chem, 8, 2025
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9F0P
 | | VIM-2 in complex with GKV61 (5c) - dynamically chiral phosphonic acid-type metallo-beta-lactamase inhibitors | | Descriptor: | FORMIC ACID, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Bartels, K, Prester, A, Bosman, R, Gulyas, K.V, Erdelyi, M, Schulz, E.C. | | Deposit date: | 2024-04-17 | | Release date: | 2025-04-30 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Dynamically chiral phosphonic acid-type metallo-beta-lactamase inhibitors.
Commun Chem, 8, 2025
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6XPB
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