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5FZG
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BU of 5fzg by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3948
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Srikannathasan, V, 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 (1.96 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3948
To be Published
5FF4
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BU of 5ff4 by Molmil
HydE from T. maritima in complex with (2R,4R)-TMeTDA
Descriptor: (2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
6HI7
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BU of 6hi7 by Molmil
The ATAD2 bromodomain in complex with compound 10
Descriptor: (2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2018-08-29
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.743 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
6HIC
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BU of 6hic by Molmil
The ATAD2 bromodomain in complex with compound 15
Descriptor: (2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide, ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Sledz, P, Caflisch, A.
Deposit date:2018-08-29
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
5FIJ
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BU of 5fij by Molmil
Bovine mitochondrial ATP synthase state 2c
Descriptor: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
Authors:Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
Deposit date:2015-09-28
Release date:2015-10-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
6HO9
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BU of 6ho9 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44825
Descriptor: 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HOV
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BU of 6hov by Molmil
Crystal Structure of BRD4 first bromodomain in complex with ferulic acid
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Bromodomain-containing protein 4
Authors:Dalle Vedove, A, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
1HVE
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BU of 1hve by Molmil
STRUCTURAL AND ELECTROPHYSIOLOGICAL ANALYSIS OF ANNEXIN V MUTANTS. MUTAGENESIS OF HUMAN ANNEXIN V, AN IN VITRO VOLTAGE-GATED CALCIUM CHANNEL, PROVIDES INFORMATION ABOUT THE STRUCTURAL FEATURES OF THE ION PATHWAY, THE VOLTAGE SENSOR AND THE ION SELECTIVITY FILTER
Descriptor: ANNEXIN V, CALCIUM ION, SULFATE ION
Authors:Burger, A, Huber, R.
Deposit date:1994-06-29
Release date:1995-03-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and electrophysiological analysis of annexin V mutants. Mutagenesis of human annexin V, an in vitro voltage-gated calcium channel, provides information about the structural features of the ion pathway, the voltage sensor and the ion selectivity filter
J.Mol.Biol., 237, 1994
6HPJ
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BU of 6hpj by Molmil
Structure of human SRSF1 RRM1 bound to AACAAA RNA
Descriptor: Immunoglobulin G-binding protein G,Serine/arginine-rich splicing factor 1, RNA (5'-R(*AP*AP*CP*AP*AP*A)-3')
Authors:Allain, F.T.H, Clery, A.
Deposit date:2018-09-21
Release date:2020-11-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of SRSF1 RRM1 bound to RNA reveals an unexpected bimodal mode of interaction and explains its involvement in SMN1 exon7 splicing.
Nat Commun, 12, 2021
5FTL
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BU of 5ftl by Molmil
Cryo-EM structure of human p97 bound to ATPgS (Conformation I)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5VZ4
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BU of 5vz4 by Molmil
Receptor-growth factor crystal structure at 2.20 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ...
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
6HHU
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BU of 6hhu by Molmil
Structure of the Bacillus anthracis Sap S-layer assembly domain
Descriptor: Nanobody AF694, S-layer protein sap, nanobody AF684
Authors:Remaut, H, Fioravanti, A.
Deposit date:2018-08-29
Release date:2019-07-24
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of S-layer protein Sap reveals a mechanism for therapeutic intervention in anthrax.
Nat Microbiol, 4, 2019
6HO8
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BU of 6ho8 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44815
Descriptor: HTH-type transcriptional regulator EthR, ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HQG
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BU of 6hqg by Molmil
Cytochrome P450-153 from Phenylobacterium zucineum
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fiorentini, F, Mattevi, A.
Deposit date:2018-09-25
Release date:2018-12-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases.
Biochemistry, 57, 2018
6HXX
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BU of 6hxx by Molmil
Potato virus Y
Descriptor: Coat protein, RNA (5'-R(P*UP*UP*UP*UP*U)-3')
Authors:Podobnik, M, Kezar, A, Novacek, J, Polak, M.
Deposit date:2018-10-18
Release date:2019-08-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for the multitasking nature of the potato virus Y coat protein.
Sci Adv, 5, 2019
7MEQ
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BU of 7meq by Molmil
Crystal structure of human TMPRSS2 in complex with Nafamostat
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ...
Authors:Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-04-07
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.
Nat.Chem.Biol., 18, 2022
1URH
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BU of 1urh by Molmil
The "Rhodanese" fold and catalytic mechanism of 3-mercaptopyruvate sulfotransferases: Crystal structure of SseA from Escherichia coli
Descriptor: 3-MERCAPTOPYRUVATE SULFURTRANSFERASE, SULFITE ION
Authors:Spallarossa, A, Forlani, F, Carpen, A, Armirotti, A, Pagani, S, Bolognesi, M, Bordo, D.
Deposit date:2003-10-30
Release date:2003-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The "Rhodanese" Fold and Catalytic Mechanism of 3-Mercaptopyruvate Sulfurtransferases: Crystal Structure of Ssea from Escherichia Coli
J.Mol.Biol., 335, 2004
5HK1
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BU of 5hk1 by Molmil
Human sigma-1 receptor bound to PD144418
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole, SULFATE ION, ...
Authors:Schmidt, H.R, Zheng, S, Gurpinar, E, Koehl, A, Manglik, A, Kruse, A.C.
Deposit date:2016-01-13
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5051 Å)
Cite:Crystal structure of the human sigma 1 receptor.
Nature, 532, 2016
3CE7
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BU of 3ce7 by Molmil
Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510
Descriptor: Specific mitochondrial acyl carrier protein
Authors:Wernimont, A.K, Dong, A, Yang, C, Khuu, C, Lam, A, Brand, V, Kozieradzki, I, Cossar, D, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2008-02-28
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510.
To be Published
3LJ9
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BU of 3lj9 by Molmil
X-ray structure of the iron superoxide dismutase from pseudoalteromonas haloplanktis in complex with sodium azide
Descriptor: AZIDE ION, FE (III) ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ...
Authors:Merlino, A, Russo Krauss, I, Rossi, B, Conte, M, Vergara, A, Sica, F.
Deposit date:2010-01-26
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and flexibility in cold-adapted iron superoxide dismutases: the case of the enzyme isolated from Pseudoalteromonas haloplanktis.
J.Struct.Biol., 172, 2010
6IKN
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BU of 6ikn by Molmil
Crystal structure of the GAS7 F-BAR domain
Descriptor: Growth arrest-specific protein 7
Authors:Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S.
Deposit date:2018-10-16
Release date:2019-10-16
Last modified:2019-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7.
Nat Commun, 10, 2019
6IVO
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BU of 6ivo by Molmil
Crystal structure of a membrane protein P208A
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
1HTG
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BU of 1htg by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE
Descriptor: 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE, HIV-1 PROTEASE
Authors:Jhoti, H, Wonacott, A, Murray-Rust, P.
Deposit date:1994-04-29
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease.
Biochemistry, 33, 1994
1LTX
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BU of 1ltx by Molmil
Structure of Rab Escort Protein-1 in complex with Rab geranylgeranyl transferase and isoprenoid
Descriptor: AAAA, CHLORIDE ION, FARNESYL, ...
Authors:Pylypenko, O, Rak, A, Reents, R, Niculae, A, Thoma, N.H, Waldmann, H, Schlichting, I, Goody, R.S, Alexandrov, K.
Deposit date:2002-05-21
Release date:2003-05-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of Rab Escort Protein-1 in Complex with Rab Geranylgeranyltransferase
Mol.Cell, 11, 2003
1TE2
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BU of 1te2 by Molmil
Putative Phosphatase Ynic from Escherichia coli K12
Descriptor: 2-PHOSPHOGLYCOLIC ACID, 2-deoxyglucose-6-P phosphatase, CALCIUM ION
Authors:Kim, Y, Joachimiak, A, Evdokimova, E, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-05-24
Release date:2004-08-03
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structure of Putative Phosphatase Ynic from Escherichia coli K12
To be Published

223790

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