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1D3C
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BU of 1d3c by Molmil
MICHAELIS COMPLEX OF BACILLUS CIRCULANS STRAIN 251 CYCLODEXTRIN GLYCOSYLTRANSFERASE WITH GAMMA-CYCLODEXTRIN
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ...
著者Uitdehaag, J.C.M, Kalk, K.H, van der Veen, B.A, Dijkhuizen, L, Dijkstra, B.W.
登録日1999-09-29
公開日1999-12-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The cyclization mechanism of cyclodextrin glycosyltransferase (CGTase) as revealed by a gamma-cyclodextrin-CGTase complex at 1.8-A resolution.
J.Biol.Chem., 274, 1999
1D8M
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BU of 1d8m by Molmil
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR
分子名称: 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, STROMELYSIN-1 PRECURSOR, ...
著者Pikul, S, Dunham, K.M, Almstead, N.G, De, B, Natchus, M.G, Taiwo, Y.O, Williams, L.E, Hynd, B.A, Hsieh, L.C, Janusz, M.J, Gu, F, Mieling, G.E.
登録日1999-10-25
公開日2000-10-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Heterocycle-based MMP inhibitors with P2' substituents.
Bioorg.Med.Chem.Lett., 11, 2001
1CLF
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BU of 1clf by Molmil
CLOSTRIDIUM PASTEURIANUM FERREDOXIN
分子名称: FERREDOXIN, IRON/SULFUR CLUSTER
著者Bertini, I, Donaire, A, Feinberg, B.A, Luchinat, C, Piccioli, M, Yuan, H.
登録日1995-06-21
公開日1996-01-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the oxidized 2[4Fe-4S] ferredoxin from Clostridium pasteurianum.
Eur.J.Biochem., 232, 1995
5KZN
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BU of 5kzn by Molmil
Metabotropic Glutamate Receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2
著者Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P.
登録日2016-07-25
公開日2016-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
5KZQ
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Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
分子名称: (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2
著者Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P.
登録日2016-07-25
公開日2016-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
4X8A
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BU of 4x8a by Molmil
NavMS pore and C-terminal domain grown from protein purified in LiCl
分子名称: HEGA-10, Ion transport protein, NONAETHYLENE GLYCOL, ...
著者Naylor, C.E, Bagneris, C, Wallace, B.A.
登録日2014-12-10
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Molecular basis of ion permeability in a voltage-gated sodium channel.
Embo J., 35, 2016
4X88
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BU of 4x88 by Molmil
E178D Selectivity filter mutant of NavMS voltage-gated pore
分子名称: HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ...
著者Naylor, C.E, Bagneris, C, Wallace, B.A.
登録日2014-12-10
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Molecular basis of ion permeability in a voltage-gated sodium channel.
Embo J., 35, 2016
4X89
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BU of 4x89 by Molmil
NavMs voltage-gated sodium channal pore and C-terminal domain soaked with Silver nitrate
分子名称: HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ...
著者Naylor, C.E, Bagneris, C, Wallace, B.A.
登録日2014-12-10
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Molecular basis of ion permeability in a voltage-gated sodium channel.
Embo J., 35, 2016
3ZJZ
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BU of 3zjz by Molmil
Open-form NavMS Sodium Channel Pore (with C-terminal Domain)
分子名称: DODECAETHYLENE GLYCOL, HEGA-10, ION TRANSPORT PROTEIN, ...
著者Bagneris, C, Naylor, C.E, Wallace, B.A.
登録日2013-01-21
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Role of the C-Terminal Domain in the Structure and Function of Tetrameric Sodium Channels.
Nat.Commun., 4, 2013
7TKU
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BU of 7tku by Molmil
Structure of the yeast clamp loader (Replication Factor C RFC) bound to the open sliding clamp (Proliferating Cell Nuclear Antigen PCNA)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A.
登録日2022-01-17
公開日2022-02-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
7WUG
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BU of 7wug by Molmil
GID subcomplex: Gid12 bound Substrate Receptor Scaffolding module
分子名称: Glucose-induced degradation protein 8, HLJ1_G0042170.mRNA.1.CDS.1, Vacuolar import and degradation protein 24, ...
著者Qiao, S, Cheng, J.D, Schulman, B.A.
登録日2022-02-08
公開日2022-06-08
最終更新日2022-06-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of Gid12-bound GID E3 reveal steric blockade as a mechanism inhibiting substrate ubiquitylation.
Nat Commun, 13, 2022
5BZB
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BU of 5bzb by Molmil
NavMs voltage-gated sodium channel pore and C-terminal domain
分子名称: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
著者Naylor, C.E, Bagneris, C, Wallace, B.A.
登録日2015-06-11
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of ion permeability in a voltage-gated sodium channel.
Embo J., 35, 2016
4CBC
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BU of 4cbc by Molmil
Open-form NavMS Sodium Channel Pore (with C-terminal Domain) after thallium soak
分子名称: HEGA-10, ION TRANSPORT PROTEIN, SODIUM ION
著者Bagneris, C, Naylor, C.E, Wallace, B.A.
登録日2013-10-12
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.664 Å)
主引用文献Prokaryotic Navms Channel as a Structural and Functional Model for Eukaryotic Sodium Channel Antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
8G33
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BU of 8g33 by Molmil
Activated form of a CDCL long protein
分子名称: Hemolysin
著者Johnstone, B.A, Christie, M.P, Morton, C.J, Parker, M.W.
登録日2023-02-06
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Activated form of a CDCL long protein
To Be Published
8G32
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BU of 8g32 by Molmil
Pro-form of a CDCL short from E. anophelis
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Johnstone, B.A, Christie, M.P, Morton, C.J, Parker, M.W.
登録日2023-02-06
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Pro-form of a CDCL short from E. anophelis
To Be Published
5N16
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BU of 5n16 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 1)
分子名称: 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one, Bromodomain-containing factor 1, GLYCEROL, ...
著者Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-05
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N13
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Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form
分子名称: Bromodomain-containing factor 1, GLYCEROL
著者Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-04
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N17
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BU of 5n17 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3)
分子名称: (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION
著者Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-05
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N15
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BU of 5n15 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ...
著者Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-05
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N18
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Second Bromodomain (BD2) from Candida albicans Bdf1 bound to an imidazopyridine (compound 2)
分子名称: 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol, Bromodomain-containing factor 1, GLYCEROL
著者Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
登録日2017-02-05
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
8GBR
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BU of 8gbr by Molmil
Cardiac amyloid fibrils extracted from a wild-type ATTR amyloidosis patient
分子名称: Transthyretin
著者Nguyen, B.A, Saelices, L.
登録日2023-02-28
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cardiac amyloid fibrils extracted from a wild-type ATTR amyloidosis patient
To Be Published
8G9R
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BU of 8g9r by Molmil
Cardiac amyloid fibrils extracted from a wild-type ATTR amyloidosis patient
分子名称: Transthyretin
著者Nguyen, B.A, Saelices, L.
登録日2023-02-21
公開日2024-02-21
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Cardiac amyloid fibrils extracted from a wild-type ATTR amyloidosis patient
To Be Published
5OE2
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BU of 5oe2 by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-245
分子名称: Beta-lactamase, CHLORIDE ION, SODIUM ION
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-07
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5OE0
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CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-181
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S, Thomassen, A.M.
登録日2017-07-07
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.0500083 Å)
主引用文献Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5ODZ
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BU of 5odz by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-163
分子名称: Beta-lactamase, CHLORIDE ION, MAGNESIUM ION, ...
著者Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S.
登録日2017-07-07
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017

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