PDB: 2027 resultsInfo pagesStatus searchChemie searchBIRD

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5S9L	AUTOTAXIN, 4-[3-Oxo-3-(2-oxo-2,3-dihydro-benzooxazol-6-yl)-propyl]-piperazine-1-carboxylic acid 3,5-dichloro-benzyl ester, 1.90A, P212121, Rfree=19.1% Descriptor: (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, ACETATE ION, CALCIUM ION, ... Authors: Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G. Deposit date: 2021-03-31 Release date: 2022-04-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of a rat Autotaxin complex To be published
5S9M	AUTOTAXIN, (3,5-dichlorophenyl)methyl (3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-6-carboxylate, 1.80A, P212121, Rfree=21.1% Descriptor: (3,5-dichlorophenyl)methyl (3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate, ACETATE ION, CALCIUM ION, ... Authors: Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G. Deposit date: 2021-03-31 Release date: 2022-04-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structure of a rat Autotaxin complex To be published
5S9N	AUTOTAXIN, [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, 1.80A, P212121, Rfree=23.3% Descriptor: CALCIUM ION, CHLORIDE ION, Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... Authors: Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G. Deposit date: 2021-03-31 Release date: 2022-04-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structure of a rat Autotaxin complex To be published
5ES4	RE-REFINEMENT OF INTEGRIN ALPHAXBETA2 ECTODOMAIN IN THE CLOSED/BENT CONFORMATION Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: Sen, M, Springer, T.A. Deposit date: 2015-11-16 Release date: 2016-03-02 Last modified: 2022-03-23 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops. Proc.Natl.Acad.Sci.USA, 113, 2016
6OSY	Cryo-EM structure of vaccine-elicited antibody 0PV-a.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122 Descriptor: 0PV-a.01 Heavy, 0PV-a.01 Light, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Gorman, J, Kwong, P.D. Deposit date: 2019-05-02 Release date: 2019-07-24 Last modified: 2020-07-29 Method: ELECTRON MICROSCOPY (4.3 Å) Cite: Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization. Cell, 178, 2019
6OZH	Crystal structure of Ciona intestinalis (Ci) Endonuclease V in complex with a 24mer DNA containing an inosine followed by a ribo-adenosine Descriptor: CALCIUM ION, DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3'), endonuclease V isoform X2 Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (3.026 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6OZJ	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine in the absence of divalent cation Descriptor: 1,2-ETHANEDIOL, DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.247 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6OZQ	Crystal structure of Mus musculus (Mm) Endonuclease V (K155M) in complex with a 23mer RNA oligo containing an inosine after a 100 min soak in 10 mM Mn2+ and K+ Descriptor: 1,2-ETHANEDIOL, DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.153 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6OZP	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 180 min soak in 10 mM Mn2+ Descriptor: 1,2-ETHANEDIOL, DNA/RNA (5'-R(*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*A)-3'), Endonuclease V, ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6OZE	Crystal structure of the catalytic domain of human Endonuclease V (C140S/C225S/C226A/C228S) Descriptor: ACETATE ION, Endonuclease V, GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6OZI	Crystal structure of Ciona intestinalis (Ci) Endonuclease V (D234N) in complex with a 23mer DNA containing an inosine followed by a ribo-adenosine Descriptor: DNA/RNA (23-MER), POTASSIUM ION, TRIETHYLENE GLYCOL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.302 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6OZS	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 90 min soak in 10 mM Mg2+ Descriptor: 1,2-ETHANEDIOL, DNA/RNA (5'-R(*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*A)-3'), Endonuclease V, ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6P2O	Crystal structure of Streptomyces rapamycinicus GH74 in complex with xyloglucan fragments XLLG and XXXG Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ... Authors: Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A. Deposit date: 2019-05-21 Release date: 2019-07-31 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. J.Biol.Chem., 294, 2019
5FYS	Crystal structure of the catalytic domain of human JARID1B in complex with D-2-hydroxyglutarate Descriptor: (2R)-2-hydroxypentanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... Authors: Nowak, R, Kopec, J, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. Deposit date: 2016-03-09 Release date: 2017-03-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with D-2-Hydroxyglutarate To be Published
5FZI	Crystal structure of the catalytic domain of human JARID1B in complex with MC3095 Descriptor: 1,2-ETHANEDIOL, 6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid, CHLORIDE ION, ... Authors: Nowak, R, Kopec, J, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U. Deposit date: 2016-03-14 Release date: 2017-03-29 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3095 To be Published
6OZL	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 2 min soak in Mn2+ Descriptor: DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
5FZ4	Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment (3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol (N10057a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) Descriptor: (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... Authors: Nowak, R, Krojer, T, Pearce, N, Talon, R, Collins, P, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. Deposit date: 2016-03-10 Release date: 2016-03-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10057A To be Published
5FZC	Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... Authors: Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. Deposit date: 2016-03-14 Release date: 2016-03-30 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
5FZL	Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (N09954a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) Descriptor: 1,2-ETHANEDIOL, 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide, CHLORIDE ION, ... Authors: Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. Deposit date: 2016-03-14 Release date: 2016-04-06 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 3-Methyl-N-Pyridin-4-Yl-1,2-Oxazole-5-Carboxamide (N09954A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
5FYV	Crystal structure of the catalytic domain of human JARID1B in complex with oxaloacetate Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... Authors: Nowak, R, Kopec, J, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. Deposit date: 2016-03-10 Release date: 2017-03-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Oxaloacetate To be Published
5FZ6	Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment N05859b (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-CARBOXYPIPERIDINE, ... Authors: Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. Deposit date: 2016-03-11 Release date: 2016-03-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.33 Å) Cite: Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment N05859B (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
5FY5	Crystal structure of the catalytic domain of human JARID1B in complex with fumarate Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ... Authors: Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. Deposit date: 2016-03-04 Release date: 2017-03-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.47 Å) Cite: Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Fumarate To be Published
5FY4	Crystal structure of the catalytic domain of human JARID1B in complex with succinate Descriptor: 1,2-ETHANEDIOL, FUMARIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... Authors: Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. Deposit date: 2016-03-04 Release date: 2017-03-22 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Succinate To be Published
5FUN	Crystal structure of human JARID1B in complex with GSK467 Descriptor: 1,2-ETHANEDIOL, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... Authors: Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. Deposit date: 2016-01-28 Release date: 2016-04-13 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
5FUP	Crystal structure of human JARID1B in complex with 2-oxoglutarate. Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... Authors: Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. Deposit date: 2016-01-28 Release date: 2016-03-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016

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