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7B1Z
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BU of 7b1z by Molmil
Virulence-associated protein VapB from the intracellular pathogen Rhodococcus equi
Descriptor: GLYCEROL, NITRATE ION, Virulence associated protein VapB
Authors:Geerds, C, Niemann, H.H.
Deposit date:2020-11-25
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Conformational changes of loops highlight a potential binding site in Rhodococcus equi VapB.
Acta Crystallogr.,Sect.F, 77, 2021
6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
4AFG
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BU of 4afg by Molmil
Capitella teleta AChBP in complex with varenicline
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CAPITELLA TELETA ACHBP, VARENICLINE, ...
Authors:Brams, M, Ulens, C, Spurny, R.
Deposit date:2012-01-19
Release date:2012-05-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Molecular Actions of Smoking Cessation Drugs at Alpha4Beta2 Nicotinic Receptors Defined in Crystal Structures of a Homologous Binding Protein.
Proc.Natl.Acad.Sci.USA, 109, 2012
7PX5
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BU of 7px5 by Molmil
ATAD2 in complex with 1-Methyl-2-quinolone
Descriptor: 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, ATPase family AAA domain-containing protein 2, ...
Authors:Martin, M.P, Noble, M.E.N.
Deposit date:2021-10-07
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Exiting the tunnel of uncertainty: crystal soak to validated hit.
Acta Crystallogr D Struct Biol, 78, 2022
1RC4
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BU of 1rc4 by Molmil
DIHYDROFOLATE REDUCTASE COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sawaya, M.R, Kraut, J.
Deposit date:1996-11-25
Release date:1997-03-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
7B5W
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BU of 7b5w by Molmil
RCK_C domain of S.agalactiae BusR in ligand-free state
Descriptor: GntR family transcriptional regulator
Authors:Bandera, A.M, Witte, G.
Deposit date:2020-12-07
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1 Å)
Cite:BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture.
Nucleic Acids Res., 49, 2021
6Q7H
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BU of 6q7h by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
7SQ7
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BU of 7sq7 by Molmil
Cryo-EM structure of mouse PI(3,5)P2-bound TRPML1 channel at 2.41 Angstrom resolution
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, ...
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ8
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BU of 7sq8 by Molmil
Cryo-EM structure of mouse apo TRPML1 channel at 2.598 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.598 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ9
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BU of 7sq9 by Molmil
Cryo-EM structure of mouse temsirolimus/PI(3,5)P2-bound TRPML1 channel at 2.11 Angstrom resolution
Descriptor: (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate, (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.11 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SQ6
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BU of 7sq6 by Molmil
Cryo-EM structure of mouse agonist ML-SA1-bound TRPML1 channel at 2.32 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1, ...
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
6BC8
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BU of 6bc8 by Molmil
Crystal structure of Rev7-R124A/Rev3-RBM2 (residues 1988-2014) complex
Descriptor: ACETATE ION, DNA polymerase zeta catalytic subunit, Mitotic spindle assembly checkpoint protein MAD2B, ...
Authors:Rizzo, A.A, Hao, B, Li, Y, Korzhnev, D.M.
Deposit date:2017-10-20
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Rev7 dimerization is important for assembly and function of the Rev1/Pol zeta translesion synthesis complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4FYZ
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BU of 4fyz by Molmil
Crystal Structure of Nitrosyl Cytochrome P450cin
Descriptor: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, NITRIC OXIDE, ...
Authors:Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L.
Deposit date:2012-07-05
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
2JKU
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BU of 2jku by Molmil
Crystal structure of the N-terminal region of the biotin acceptor domain of human propionyl-CoA carboxylase
Descriptor: PROPIONYL-COA CARBOXYLASE ALPHA CHAIN, MITOCHONDRIAL, TETRAETHYLENE GLYCOL
Authors:Healy, S, Yue, W.W, Kochan, G, Pilka, E.S, Murray, J.W, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Gravel, R.A, Oppermann, U.
Deposit date:2008-08-30
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural impact of human and Escherichia coli biotin carboxyl carrier proteins on biotin attachment.
Biochemistry, 49, 2010
8SV8
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BU of 8sv8 by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex from a composite map
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-05-15
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
1E3F
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BU of 1e3f by Molmil
Structure of human transthyretin complexed with bromophenols: a new mode of binding
Descriptor: TRANSTHYRETIN
Authors:Ghosh, M, Meerts, I.A.T.M, Cook, A, Bergman, A, Brouwer, A, Johnson, L.N.
Deposit date:2000-06-14
Release date:2000-08-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Human Transthyretin Complexed with Bromophenols : A New Mode of Binding
Acta Crystallogr.,Sect.D, 56, 2000
3MAV
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BU of 3mav by Molmil
Crystal structure of Plasmodium vivax putative farnesyl pyrophosphate synthase (Pv092040)
Descriptor: Farnesyl pyrophosphate synthase, SULFATE ION
Authors:Dong, A, Dunford, J, Lew, J, Wernimont, A.K, Ren, H, Zhao, Y, Koeieradzki, I, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2010-03-24
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites.
J.Biol.Chem., 286, 2011
5HI3
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BU of 5hi3 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, Interleukin-17A, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
1RX7
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BU of 1rx7 by Molmil
STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID
Authors:Sawaya, M.R.
Deposit date:1996-10-25
Release date:1997-03-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
6Q6M
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BU of 6q6m by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
1RX1
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BU of 1rx1 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (REDUCED FORM)
Descriptor: CALCIUM ION, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sawaya, M.R.
Deposit date:1996-09-19
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX8
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BU of 1rx8 by Molmil
DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
Descriptor: BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, FOLIC ACID, ...
Authors:Sawaya, M.R.
Deposit date:1996-10-25
Release date:1997-03-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
1RX4
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BU of 1rx4 by Molmil
DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEXED WITH 5,10-DIDEAZATETRAHYDROFOLATE AND 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, BETA-MERCAPTOETHANOL, DIHYDROFOLATE REDUCTASE, ...
Authors:Sawaya, M.R.
Deposit date:1996-09-19
Release date:1997-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
8CDL
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BU of 8cdl by Molmil
80S S. cerevisiae ribosome with ligands in hybrid-2 pre-translocation (PRE-H2) complex
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Milicevic, N, Jenner, L, Myasnikov, A, Yusupov, M, Yusupova, G.
Deposit date:2023-01-31
Release date:2023-09-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:mRNA reading frame maintenance during eukaryotic ribosome translocation.
Nature, 625, 2024
8CG8
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BU of 8cg8 by Molmil
Translocation intermediate 3 (TI-3) of 80S S. cerevisiae ribosome with ligands and eEF2 in the presence of sordarin
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Milicevic, N, Jenner, L, Myasnikov, A, Yusupov, M, Yusupova, G.
Deposit date:2023-02-03
Release date:2023-09-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:mRNA reading frame maintenance during eukaryotic ribosome translocation.
Nature, 625, 2024

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