1U8W
 
 | | Crystal structure of Arabidopsis thaliana nucleoside diphosphate kinase 1 | | Descriptor: | Nucleoside diphosphate kinase I | | Authors: | Im, Y.J, Kim, J.-I, Shen, Y, Na, Y, Han, Y.-J, Kim, S.-H, Song, P.-S, Eom, S.H. | | Deposit date: | 2004-08-07 | | Release date: | 2004-11-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analysis of Arabidopsis thaliana nucleoside diphosphate kinase-2 for phytochrome-mediated light signaling
J.Mol.Biol., 343, 2004
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6SZQ
 | | Crystal structure of human DDAH-1 | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | | Authors: | Hennig, S, Vetter, I.R, Schade, D. | | Deposit date: | 2019-10-02 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.412 Å) | | Cite: | Discovery ofN-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1).
J.Med.Chem., 63, 2020
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8XI6
 | | SARS-CoV-2 Omicron BQ.1.1 Variant Spike Protein Complexed with MO11 Fab | | 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-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ishimaru, H, Nishimura, M, Shigematsu, H, Marini, M.I, Hasegawa, N, Takamiya, R, Iwata, S, Mori, Y. | | Deposit date: | 2023-12-19 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Epitopes of an antibody that neutralizes a wide range of SARS-CoV-2 variants in a conserved subdomain 1 of the spike protein.
J.Virol., 98, 2024
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6F79
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6SC8
 | | dAb3/HOIP-RBR-Ligand4 | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ... | | Authors: | Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K. | | Deposit date: | 2019-07-23 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.106 Å) | | Cite: | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
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6SC7
 | | dAb3/HOIP-RBR-Ligand3 | | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ... | | Authors: | Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K. | | Deposit date: | 2019-07-23 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
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5IFA
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9ETU
 | | Archaellum filament from the Halobacterium salinarum deltaAgl27 strain | | Descriptor: | 3-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose, Archaellin | | Authors: | Grossman-Haham, I, Shahar, A. | | Deposit date: | 2024-03-27 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Perturbed N-glycosylation of Halobacterium salinarum archaellum filaments leads to filament bundling and compromised cell motility.
Nat Commun, 15, 2024
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9EQ7
 | | Halobacterium salinarum archaellum filament | | Descriptor: | 2-O-sulfo-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose, Archaellin | | Authors: | Grossman-Haham, I, Shahar, A. | | Deposit date: | 2024-03-21 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Perturbed N-glycosylation of Halobacterium salinarum archaellum filaments leads to filament bundling and compromised cell motility.
Nat Commun, 15, 2024
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7ZCK
 | | Room temperature crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate | | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Phosphonate ABC type transporter/ substrate binding component | | Authors: | Mikolajek, H, Shah, B.S, Paulsen, I.T, Sandy, J, Sanchez-Weatherby, J. | | Deposit date: | 2022-03-28 | | Release date: | 2022-05-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi.
Iucrj, 10, 2023
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5F3E
 | | Crystal structure of human KDM4A in complex with compound 54a | | Descriptor: | 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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1Y10
 | | Mycobacterial adenylyl cyclase Rv1264, holoenzyme, inhibited state | | Descriptor: | CALCIUM ION, Hypothetical protein Rv1264/MT1302, PENTAETHYLENE GLYCOL | | Authors: | Tews, I, Findeisen, F, Sinning, I, Schultz, A, Schultz, J.E, Linder, J.U. | | Deposit date: | 2004-11-16 | | Release date: | 2005-05-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of a pH-sensing mycobacterial adenylyl cyclase holoenzyme
Science, 308, 2005
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6BPS
 | | Crystal structure of cysteine-bound ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2017-11-26 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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2WMR
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | Descriptor: | 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | Authors: | Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I. | | Deposit date: | 2009-07-03 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
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6BGF
 | | Crystal structure of cysteine-bound ferrous form of the crosslinked human cysteine dioxygenase | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2017-10-28 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat.Chem.Biol., 14, 2018
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5F37
 | | Crystal structure of human KDM4A in complex with compound 58 | | Descriptor: | 1,2-ETHANEDIOL, 3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5F2W
 | | Crystal structure of human KDM4A in complex with compound 16 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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2OX8
 | | Human Scavenger Receptor C-type Lectin carbohydrate-recognition domain. | | Descriptor: | CALCIUM ION, CHLORIDE ION, Scavenger receptor with C-type lectin type I, ... | | Authors: | Weis, W.I, Feinberg, H, Drickamer, K, Taylor, M.E. | | Deposit date: | 2007-02-20 | | Release date: | 2007-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Scavenger receptor C-type lectin binds to the leukocyte cell surface glycan Lewis(x) by a novel mechanism.
J.Biol.Chem., 282, 2007
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5F39
 | | Crystal structure of human KDM4A in complex with compound 37 | | Descriptor: | 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Lysine-specific demethylase 4A, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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3N0C
 | | TM0449 mutant crystal grown by hanging drop method | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX | | Authors: | Mathews, I.I. | | Deposit date: | 2010-05-13 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Diffraction study of protein crystals grown in cryoloops and micromounts.
J.Appl.Crystallogr., 43, 2010
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7AZF
 | | DNA polymerase sliding clamp from Escherichia coli with peptide 8 bound | | Descriptor: | Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | | Deposit date: | 2020-11-16 | | Release date: | 2021-12-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
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5F32
 | | Crystal structure of human KDM4A in complex with compound 40 | | Descriptor: | 1,2-ETHANEDIOL, 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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9COJ
 | | SH3-like tandem domain of human KIN protein | | Descriptor: | DNA/RNA-binding protein KIN17 | | Authors: | de Lourenco, I.O, Fossey, M.A, Souza, F.P, Seixas, F.A.V, Fernandez, M.A, Almeida, F.C.L, Caruso, I.P. | | Deposit date: | 2024-07-16 | | Release date: | 2024-07-31 | | Method: | SOLUTION NMR | | Cite: | Solution structure of SH3-like tandem domain of human KIN protein and its interaction with RNA homo-oligonucleotides
To Be Published
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6EYP
 | | X-ray structure of the unliganded uridine phosphorylase from Vibrio cholerae at 1.22A | | Descriptor: | GLYCEROL, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Prokofev, I.I, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Lashkov, A.A. | | Deposit date: | 2017-11-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | X-ray structure of the unliganded uridine phosphorylase from Vibrio cholerae at 1.22A
To Be Published
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5RSF
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000026180281 | | Descriptor: | 9-methyl-9H-purine-2,6-diamine, Non-structural protein 3 | | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
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