5AV1
 
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7UDB
 | | Cryo-EM structure of a synaptobrevin-Munc18-1-syntaxin-1 complex class 2 | | Descriptor: | Synaptobrevin-2, Syntaxin-1A, Syntaxin-binding protein 1 | | Authors: | Rizo, J, Bai, X, Stepien, K.P, Xu, J, Zhang, X. | | Deposit date: | 2022-03-18 | | Release date: | 2022-04-06 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | SNARE assembly enlightened by cryo-EM structures of a synaptobrevin-Munc18-1-syntaxin-1 complex.
Sci Adv, 8, 2022
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7UDC
 | | cryo-EM structures of a synaptobrevin-Munc18-1-syntaxin-1 complex class1 | | Descriptor: | Synaptobrevin-2, Syntaxin-1A, Syntaxin-binding protein 1 | | Authors: | Rizo, J, Bai, X, Stepien, K.P, Xu, J, Zhang, X. | | Deposit date: | 2022-03-18 | | Release date: | 2022-04-06 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | SNARE assembly enlightened by cryo-EM structures of a synaptobrevin-Munc18-1-syntaxin-1 complex.
Sci Adv, 8, 2022
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1M2Q
 | | Crystal structure of 1,8-di-hydroxy-4-nitro-xanten-9-one/CK2 kinase complex | | Descriptor: | 1,8-DI-HYDROXY-4-NITRO-XANTHEN-9-ONE, Casein kinase II, alpha chain | | Authors: | De Moliner, E, Sarno, S, Moro, S, Zagotto, G, Zanotti, G, Pinna, L.A, Battistutta, R. | | Deposit date: | 2002-06-25 | | Release date: | 2003-06-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Inhibition of protein kinase CK2 by anthraquinone-related compounds. A
structural insight
J.Biol.Chem., 278, 2003
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5IO1
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4MU1
 | | The structure of wt A. thaliana IGPD2 in complex with Mn2+, imidazole, and sulfate at 1.5 A resolution | | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Imidazoleglycerol-phosphate dehydratase 2, ... | | Authors: | Bisson, C, Britton, K.L, Sedelnikova, S.E, Baker, P.J, Rice, D.W. | | Deposit date: | 2013-09-20 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
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5AUU
 | | Crystal structure of DAPK1 in complex with luteolin. | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Death-associated protein kinase 1 | | Authors: | Yokoyama, T, Mizuguchi, M. | | Deposit date: | 2015-06-10 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
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5AUY
 | | Crystal structure of DAPK1 in complex with morin. | | Descriptor: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, Death-associated protein kinase 1 | | Authors: | Yokoyama, T, Mizuguchi, M. | | Deposit date: | 2015-06-10 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
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5ITH
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5I8F
 | | Crystal structure of St. John's wort Hyp-1 protein in complex with melatonin | | Descriptor: | GLYCEROL, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, Phenolic oxidative coupling protein, ... | | Authors: | Sliwiak, J, Dauter, Z, Jaskolski, M. | | Deposit date: | 2016-02-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of Hyp-1, a Hypericum perforatum PR-10 Protein, in Complex with Melatonin.
Front Plant Sci, 7, 2016
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6ZHO
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Southall, S.M. | | Deposit date: | 2020-06-23 | | Release date: | 2020-07-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
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7B12
 | | HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid | | Descriptor: | ((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | | Authors: | Musil, D, Klein, M, Crosignani, S. | | Deposit date: | 2020-11-23 | | Release date: | 2021-12-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure-Based Optimization and Discovery of M3258, a Specific Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i).
J.Med.Chem., 64, 2021
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8OX3
 | | Structure of the murine LYVE-1 (lymphatic vessel endothelial receptor-1) hyaluronan binding domain bound with octasaccharide hyaluronan. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, CHLORIDE ION, ... | | Authors: | Ni, T, Banerji, N, Jackson, D.J, Gilbert, R.J.C. | | Deposit date: | 2023-04-30 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structure of the murine LYVE-1 (lymphatic vessel endothelial receptor-1) hyaluronan binding domain in an unliganded state
Nature Communications, 2025
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5VBB
 | | Human RNA Pseudouridylate Synthase Domain Containing 1 | | Descriptor: | CHLORIDE ION, GLYCEROL, RNA pseudouridylate synthase domain-containing protein 1, ... | | Authors: | DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-03-29 | | Release date: | 2017-04-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Human RNA Pseudouridylate Synthase Domain Containing 1
to be published
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4BI0
 | | Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 5H-pyrimido[5,4-b]indole, ... | | Authors: | Langdon, S.R, Westwood, I.M, van Montfort, R.L.M, Brown, N, Blagg, J. | | Deposit date: | 2013-04-09 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors.
J.Chem.Inf.Model, 53, 2013
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4ZXF
 | | Crystal Structure of a Soluble Variant of Monoglyceride Lipase from Saccharomyces Cerevisiae in Complex with a Substrate Analog | | Descriptor: | 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium, Monoglyceride lipase, NITRATE ION, ... | | Authors: | Aschauer, P, Lichtenegger, J, Rengachari, S, Gruber, K, Oberer, M. | | Deposit date: | 2015-05-20 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the Saccharomyces cerevisiae monoglyceride lipase Yju3p.
Biochim.Biophys.Acta, 1861, 2016
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7UZU
 | | Ankyrin-1 (N-terminal region of membrane binding domain, local refinement from consensus reconstruction; bound to N-terminal peptide from band 3) | | Descriptor: | Ankyrin-1, Band 3 anion transport protein | | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | | Deposit date: | 2022-05-09 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
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1Z2J
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8I0C
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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6BSM
 | | BMP1 complexed with a reverse hydroxamate - compound 4 | | Descriptor: | Bone morphogenetic protein 1, N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide, ZINC ION | | Authors: | Gampe, R, Shewchuk, L. | | Deposit date: | 2017-12-04 | | Release date: | 2018-08-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1.
ACS Med Chem Lett, 9, 2018
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7V0S
 | | Local refinement of RhAG/CE trimer, class 1 of erythrocyte ankyrin-1 complex | | Descriptor: | Ammonium transporter Rh type A, Ankyrin-1, Blood group Rh(CE) polypeptide, ... | | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | | Deposit date: | 2022-05-10 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
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7V0X
 | | Local refinement of ankyrin-1 (C-terminal half), class 1 of erythrocyte ankyrin-1 complex | | Descriptor: | Ankyrin-1 | | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | | Deposit date: | 2022-05-11 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
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3MC6
 | | Crystal structure of ScDPL1 | | Descriptor: | PHOSPHATE ION, Sphingosine-1-phosphate lyase | | Authors: | Bourquin, F, Grutter, M.G, Capitani, G. | | Deposit date: | 2010-03-27 | | Release date: | 2010-08-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
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6FLD
 | | Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ... | | Authors: | De la Mora, E, Santoni, G, de Souza, J, Sussman, J, Silman, I, Baati, R, Weik, M, Nachon, F. | | Deposit date: | 2018-01-25 | | Release date: | 2018-08-29 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
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5HH4
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