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5MPM
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BU of 5mpm by Molmil
SERCA2a from pig heart
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Drachmann, N.D, Sitsel, A, Andersen, J.L, Nissen, P, Olesen, C.
Deposit date:2016-12-16
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the heart specific SERCA2a Ca2+-ATPase.
Embo J., 38, 2019
5M68
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BU of 5m68 by Molmil
AT-rich DNA dodecamer with extra helical guanine-nickel coordination
Descriptor: DNA (5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*TP*TP*CP*G)-3'), NICKEL (II) ION
Authors:Campos, J.L, Saperas, N, Acosta-Reyes, F.J, Pagan, M.
Deposit date:2016-10-24
Release date:2017-11-15
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:AT-rich DNA with extra helical guanine-nickel coordination
To Be Published
5MRI
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BU of 5mri by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2016-12-23
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017
1JR5
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BU of 1jr5 by Molmil
Solution Structure of the Anti-Sigma Factor AsiA Homodimer
Descriptor: 10 KDA Anti-Sigma Factor
Authors:Urbauer, J.L, Simeonov, M.F, Bieber Urbauer, R.J, Adelman, K, Gilmore, J.M, Brody, E.N.
Deposit date:2001-08-10
Release date:2002-02-20
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure and stability of the anti-sigma factor AsiA: implications for novel functions.
Proc.Natl.Acad.Sci.USA, 99, 2002
5MRH
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BU of 5mrh by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one, Sortilin, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2016-12-23
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017
5ND1
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BU of 5nd1 by Molmil
Viral evolution results in multiple, surface-allocated enzymatic activities in a fungal double-stranded RNA virus
Descriptor: Capsid protein
Authors:Mata, C.P, Luque, D, Gomez Blanco, J, Rodriguez, J.M, Suzuki, N, Ghabrial, S.A, Carrascosa, J.L, Trus, B.L, Caston, J.R.
Deposit date:2017-03-07
Release date:2017-11-29
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Acquisition of functions on the outer capsid surface during evolution of double-stranded RNA fungal viruses.
PLoS Pathog., 13, 2017
8E9H
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BU of 8e9h by Molmil
Mycobacterial respiratory complex I, fully-inserted quinone
Descriptor: (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Liang, Y, Rubinstein, J.L.
Deposit date:2022-08-26
Release date:2022-10-12
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
8E9G
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BU of 8e9g by Molmil
Mycobacterial respiratory complex I with both quinone positions modelled
Descriptor: (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Liang, Y, Rubinstein, J.L.
Deposit date:2022-08-26
Release date:2022-10-12
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
8E9I
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BU of 8e9i by Molmil
Mycobacterial respiratory complex I, semi-inserted quinone
Descriptor: (2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Liang, Y, Rubinstein, J.L.
Deposit date:2022-08-26
Release date:2022-10-12
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of mycobacterial respiratory complex I.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EAT
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BU of 8eat by Molmil
Yeast VO missing subunits a, e, and f in complex with Vma12-22p
Descriptor: V-type proton ATPase subunit F, V-type proton ATPase subunit c, V-type proton ATPase subunit c', ...
Authors:Wang, H, Bueler, S.A, Rubinstein, J.L.
Deposit date:2022-08-29
Release date:2022-11-02
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of V-ATPase V O region assembly by Vma12p, 21p, and 22p.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EAS
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BU of 8eas by Molmil
Yeast VO in complex with Vma12-22p
Descriptor: V-type proton ATPase assembly factor Vma12p, V-type proton ATPase subunit F, V-type proton ATPase subunit a, ...
Authors:Wang, H, Bueler, S.A, Rubinstein, J.L.
Deposit date:2022-08-29
Release date:2022-11-02
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis of V-ATPase V O region assembly by Vma12p, 21p, and 22p.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EAU
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BU of 8eau by Molmil
Yeast VO in complex with Vma21p
Descriptor: V-type proton ATPase subunit a, vacuolar isoform, V-type proton ATPase subunit c, ...
Authors:Wang, H, Bueler, S.A, Rubinstein, J.L.
Deposit date:2022-08-29
Release date:2022-11-02
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of V-ATPase V O region assembly by Vma12p, 21p, and 22p.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EAV
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BU of 8eav by Molmil
YAR027W and YAR028W in complex with c subunits from yeast VO complex
Descriptor: YAR027W or YAR028W, subunit from the c ring of yeast VO complex
Authors:Wang, H, Bueler, S.A, Rubinstein, J.L.
Deposit date:2022-08-29
Release date:2022-11-02
Last modified:2023-02-15
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Structural basis of V-ATPase V O region assembly by Vma12p, 21p, and 22p.
Proc.Natl.Acad.Sci.USA, 120, 2023
3OSL
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BU of 3osl by Molmil
Structure of bovine thrombin-activatable fibrinolysis inhibitor in complex with tick carboxypeptidase inhibitor
Descriptor: Carboxypeptidase B2, Carboxypeptidase inhibitor, ZINC ION
Authors:Valnickova, Z, Sanglas, L, Arolas, J.L, Petersen, S.V, Schar, C, Otzen, D, Aviles, F.X, Gomis-Ruth, F.X, Enghild, J.J.
Deposit date:2010-09-09
Release date:2010-09-29
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (6 Å)
Cite:Flexibility of the Thrombin-activatable Fibrinolysis Inhibitor Pro-domain Enables Productive Binding of Protein Substrates.
J.Biol.Chem., 285, 2010
1L7F
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BU of 1l7f by Molmil
Crystal structure of influenza virus neuraminidase in complex with BCX-1812
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ...
Authors:Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M.
Deposit date:2002-03-15
Release date:2002-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
7AST
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BU of 7ast by Molmil
Apo Human RNA Polymerase III
Descriptor: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
Authors:Ramsay, E.P, Abascal-Palacios, G, Daiss, J.L, King, H, Gouge, J, Pilsl, M, Beuron, F, Morris, E, Gunkel, P, Engel, C, Vannini, A.
Deposit date:2020-10-28
Release date:2020-12-23
Last modified:2020-12-30
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of human RNA polymerase III.
Nat Commun, 11, 2020
1MSV
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BU of 1msv by Molmil
The S68A S-adenosylmethionine decarboxylase proenzyme processing mutant.
Descriptor: 1,4-DIAMINOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-adenosylmethionine decarboxylase proenzyme
Authors:Tolbert, W.D, Zhang, Y, Bennett, E.M, Cottet, S.E, Ekstrom, J.L, Pegg, A.E, Ealick, S.E.
Deposit date:2002-09-19
Release date:2003-03-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanism of Human S-Adenosylmethionine Decarboxylase Proenzyme Processing as Revealed by the Structure of the S68A Mutant.
Biochemistry, 42, 2003
7ANK
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BU of 7ank by Molmil
Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with half dimer of alpha-actinin-2
Descriptor: Alpha-actinin-2, Myozenin-1
Authors:Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K.
Deposit date:2020-10-12
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.204 Å)
Cite:Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
7ATP
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BU of 7atp by Molmil
2.0 angstrom structure in complex with Ca of plant Extended Synaptotagmin 1, C2A domain
Descriptor: CALCIUM ION, CHLORIDE ION, Synaptotagmin-1, ...
Authors:Benavente, J.L, Albert, A.
Deposit date:2020-10-30
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure and flexibility analysis of the Arabidopsis synaptotagmin 1 reveal the basis of its regulation at membrane contact sites.
Life Sci Alliance, 4, 2021
7AS6
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BU of 7as6 by Molmil
2.0 angstrom structure of plant Extended Synaptotagmin 1, C2A domain
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Benavente, J.L, Albert, A.
Deposit date:2020-10-27
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure and flexibility analysis of the Arabidopsis synaptotagmin 1 reveal the basis of its regulation at membrane contact sites.
Life Sci Alliance, 4, 2021
7AVW
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BU of 7avw by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-iSB07-HAB1 TERNARY COMPLEX
Descriptor: CHLORIDE ION, CsPYL1, GLYCEROL, ...
Authors:Albert, A, Infantes, L, Benavente, J.L.
Deposit date:2020-11-06
Release date:2023-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-Lig2-HAB1 TERNARY COMPLEX
To Be Published
6ICD
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BU of 6icd by Molmil
REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE
Descriptor: ISOCITRATE DEHYDROGENASE
Authors:Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M.
Deposit date:1990-05-30
Release date:1991-10-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
7BC6
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BU of 7bc6 by Molmil
Cryo-EM structure of the outward open proton coupled folate transporter at pH 7.5
Descriptor: Proton-coupled folate transporter, nanobody
Authors:Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S.
Deposit date:2020-12-18
Release date:2021-05-12
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of antifolate recognition and transport by PCFT.
Nature, 595, 2021
7BC7
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BU of 7bc7 by Molmil
Cryo-EM structure of the proton coupled folate transporter at pH 6.0 bound to pemetrexed
Descriptor: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Proton-coupled folate transporter, nanobody
Authors:Parker, J.L, Deme, J.C, Lea, S.M, Newstead, S.
Deposit date:2020-12-18
Release date:2021-05-12
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of antifolate recognition and transport by PCFT.
Nature, 595, 2021
1ODC
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BU of 1odc by Molmil
STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE
Authors:Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L.
Deposit date:2003-02-15
Release date:2005-03-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006

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