4Y1Z
 
 | | Complex of human Galectin-1 and Galbeta1-4(6CO2)GlcNAc | | Descriptor: | Galectin-1, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranosiduronic acid | | Authors: | Lin, H.Y, Hsieh, T.J, Lin, C.H. | | Deposit date: | 2015-02-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
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1FGK
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1FGX
 | | CRYSTAL STRUCTURE OF THE BOVINE BETA 1,4 GALACTOSYLTRANSFERASE (B4GALT1) CATALYTIC DOMAIN COMPLEXED WITH UMP | | Descriptor: | BETA 1,4 GALACTOSYLTRANSFERASE, URIDINE-5'-MONOPHOSPHATE | | Authors: | Gastinel, L.N, Cambillau, C, Bourne, Y. | | Deposit date: | 2000-07-29 | | Release date: | 2000-08-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of the bovine beta4galactosyltransferase catalytic domain and its complex with uridine diphosphogalactose.
EMBO J., 18, 1999
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6T3G
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8T7Q
 | | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | | Descriptor: | 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023
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6JKW
 | | Seleno-methionine PNGM-1 from deep-sea sediment metagenome | | Descriptor: | Metallo-beta-lactamases PNGM-1, ZINC ION | | Authors: | Hong, M.K, Park, K.S, Jeon, J.H, Lee, J.H, Park, Y.S, Lee, S.H, Kang, L.W. | | Deposit date: | 2019-03-02 | | Release date: | 2019-04-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | PNGM 1 a novel subclass B3 metallo beta lactamase from a deep sea sediment metagenome
Journal of Global Antimicrobial Resistance, 14, 2018
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7Y3Y
 | | Crystal structure of BTG13 mutant (T299V) | | Descriptor: | FE (III) ION, GLYCEROL, questin oxidase BTG13 | | Authors: | Hou, X.D, Fu, K, Rao, Y.J. | | Deposit date: | 2022-06-13 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7Y3X
 | | Crystal structure of BTG13 mutant (H58F) | | Descriptor: | FE (III) ION, GLYCEROL, Questin oxidase | | Authors: | Hou, X.D, Rao, Y.J. | | Deposit date: | 2022-06-13 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Discovery of the Biosynthetic Pathway of Beticolin 1 Reveals a Novel Non-Heme Iron-Dependent Oxygenase for Anthraquinone Ring Cleavage.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7Y3W
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1FLP
 | | STRUCTURE OF THE SULFIDE-REACTIVE HEMOGLOBIN FROM THE CLAM LUCINA PECTINATA: CRYSTALLOGRAPHIC ANALYSIS AT 1.5 ANGSTROMS RESOLUTION | | Descriptor: | HEMOGLOBIN I (AQUO MET), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Rizzi, M, Wittenberg, J.B, Ascenzi, P, Fasano, M, Coda, A, Bolognesi, M. | | Deposit date: | 1994-05-16 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of the sulfide-reactive hemoglobin from the clam Lucina pectinata. Crystallographic analysis at 1.5 A resolution.
J.Mol.Biol., 244, 1994
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6ZQM
 | | bovine ATP synthase monomer state 2 (combined) | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Spikes, T.E, Montgomery, M.G, Walker, J.E. | | Deposit date: | 2020-07-10 | | Release date: | 2020-09-09 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8KFA
 | | Cryo-EM structure of HSV-1 gB with D48 Fab complex | | Descriptor: | D48 heavy chain, D48 light chain, Envelope glycoprotein B | | Authors: | Yang, J, Sun, C, Fang, X, Zeng, M, Liu, Z. | | Deposit date: | 2023-08-15 | | Release date: | 2024-01-03 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | The structure of HSV-1 gB bound to a potent neutralizing antibody reveals a conservative antigenic domain across herpesviruses
hlife, 2023
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8GER
 | | E. eligens beta-glucuronidase bound to norquetiapine-glucuronide | | Descriptor: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, Beta-glucuronidase | | Authors: | Simpson, J.B, Lietzan, A.D, Redinbo, M.R. | | Deposit date: | 2023-03-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8GEO
 | | E. eligens beta-glucuronidase bound to 3-OH-desloratidine-glucuronide | | Descriptor: | 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, Beta-glucuronidase, GLYCEROL | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-03-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
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8UOK
 | | Crystal structure of human NUAK1-MARK3 (7 mutations) kinase domain chimera bound with small molecule inhibitor #31 | | Descriptor: | (6P)-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-4-(piperidin-4-yl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, 1,2-ETHANEDIOL, MAP/microtubule affinity-regulating kinase 3 | | Authors: | Delker, S.L, Abendroth, J, Fox III, D.D. | | Deposit date: | 2023-10-19 | | Release date: | 2024-10-23 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of UCB9386: A Potent, Selective, and Brain-Penetrant Nuak1 Inhibitor Suitable for In Vivo Pharmacological Studies.
J.Med.Chem., 67, 2024
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8PIH
 | | Structure of Api m1 in complex with two nanobodies | | Descriptor: | CHLORIDE ION, Phospholipase A2, nanobdoy AM1-1, ... | | Authors: | Aagaard, J.B, Gandini, R, Spillner, E, Miehe, M, Andersen, G.R. | | Deposit date: | 2023-06-21 | | Release date: | 2024-05-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Nanobody-based IgG formats as blocking antibodies of the major honeybee venom allergen Api m 1
To be published
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8PO0
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4UMO
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1FBN
 | | CRYSTAL STRUCTURE OF A FIBRILLARIN HOMOLOGUE FROM METHANOCOCCUS JANNASCHII, A HYPERTHERMOPHILE, AT 1.6 A | | Descriptor: | MJ FIBRILLARIN HOMOLOGUE | | Authors: | Wang, H, Boisvert, D, Kim, K.K, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 1999-04-25 | | Release date: | 2000-04-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a fibrillarin homologue from Methanococcus jannaschii, a hyperthermophile, at 1.6 A resolution.
EMBO J., 19, 2000
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8R2E
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7AAY
 | | Crystal structure of MerTK kinase domain in complex with Merestinib | | Descriptor: | CHLORIDE ION, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, Tyrosine-protein kinase Mer | | Authors: | Schimpl, M, Pflug, A, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | | Deposit date: | 2020-09-05 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding.
Biochem.J., 477, 2020
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8UOJ
 | | Crystal structure of human NUAK1-MARK3 kinase domain chimera bound with azepane (R)-#50 small molecule inhibitor | | Descriptor: | (6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, 1,2-ETHANEDIOL, BENZOIC ACID, ... | | Authors: | Delker, S.L, Abendroth, J, Mayclin, S.J. | | Deposit date: | 2023-10-19 | | Release date: | 2024-11-06 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of UCB9386: A Potent, Selective, and Brain-Penetrant Nuak1 Inhibitor Suitable for In Vivo Pharmacological Studies.
J.Med.Chem., 67, 2024
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9BY4
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8FAL
 | | Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione | | Descriptor: | 1,3-benzothiazole-2(3H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Kohlbrand, A.J, Seo, H. | | Deposit date: | 2022-11-28 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023
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6X7Z
 | | Inositol-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1,2-ETHANEDIOL, Antifreeze protein, ... | | Authors: | Guo, S, Davies, P.L. | | Deposit date: | 2020-06-01 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Mbio, 12, 2021
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