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3M5M
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BU of 3m5m by Molmil
Avoiding drug resistance against HCV NS3/4A protease inhibitors
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FDEMEEC Peptide, NS3/4A, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2010-03-12
Release date:2010-11-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
4UT6
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BU of 4ut6 by Molmil
Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 B7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ...
Authors:Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
Deposit date:2014-07-18
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
3M5N
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BU of 3m5n by Molmil
Crystal structure of HCV NS3/4A protease in complex with N-terminal product 4B5A
Descriptor: NS3/4A, SECTTPC peptide, SULFATE ION, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2010-03-12
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
3M5O
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BU of 3m5o by Molmil
Crystal structure of HCV NS3/4A protease in complex with N-terminal product 5A5B
Descriptor: NS3/4A, SULFATE ION, TEDVVCC peptide, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2010-03-12
Release date:2010-11-24
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
4PH4
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BU of 4ph4 by Molmil
The crystal structure of Human VPS34 in complex with PIK-III
Descriptor: 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Knapp, M.S, Elling, R.A.
Deposit date:2014-05-04
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo.
Nat.Cell Biol., 16, 2014
5ERA
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BU of 5era by Molmil
Human Connexin-26 (Calcium-free)
Descriptor: Gap junction beta-2 protein
Authors:Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
Deposit date:2015-11-13
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
5ER7
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BU of 5er7 by Molmil
Connexin-26 Bound to Calcium
Descriptor: CALCIUM ION, Gap junction beta-2 protein
Authors:Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
Deposit date:2015-11-13
Release date:2016-01-27
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (3.286 Å)
Cite:An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
4QWT
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BU of 4qwt by Molmil
Anaerobic crystal structure of delta413-417:GS LOX in complex with arachidonate
Descriptor: ACETATE ION, ARACHIDONIC ACID, Allene oxide synthase-lipoxygenase protein, ...
Authors:Neau, D.B, Newcomer, M.E.
Deposit date:2014-07-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Crystal Structure of a Lipoxygenase in Complex with Substrate: THE ARACHIDONIC ACID-BINDING SITE OF 8R-LIPOXYGENASE.
J.Biol.Chem., 289, 2014
4RCH
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BU of 4rch by Molmil
Discovery of 2-Pyridyl Ureas as Glucokinase Activators
Descriptor: 1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea, Glucokinase, alpha-D-glucopyranose
Authors:Voegtli, W, Vigers, G.P.A.
Deposit date:2014-09-16
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 2-pyridylureas as glucokinase activators.
J.Med.Chem., 57, 2014
6P3B
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BU of 6p3b by Molmil
Crystal structure of the anti-HIV antibody DH501 unmutated common ancestor (UCA)
Descriptor: 1,2-ETHANEDIOL, DH501UCA Fab Heavy chain, DH501UCA Fab Light chain
Authors:Nicely, N.I, Saunders, K.O.
Deposit date:2019-05-23
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Cooperation between somatic mutation and germline-encoded residues enable antibody recognition of HIV-1 envelope glycans.
Plos Pathog., 15, 2019
4YS1
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BU of 4ys1 by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure (2) at 1.07 A.
Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-16
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis.
ACS Chem. Biol., 12, 2017
6Q4O
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BU of 6q4o by Molmil
Fusidic acid bound AcrB_I27A
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, DARPIN, DECANE, ...
Authors:Tam, H.K, Pos, K.M.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB.
J.Mol.Biol., 432, 2020
6Q4P
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BU of 6q4p by Molmil
Fusidic acid bound AcrB_N298A
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CHLORIDE ION, ...
Authors:Tam, H.K, Pos, K.M.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB.
J.Mol.Biol., 432, 2020
6Q4N
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BU of 6q4n by Molmil
Fusidic acid bound AcrB_V340A
Descriptor: (2S)-3-hydroxypropane-1,2-diyl didecanoate, DARPin, DECANE, ...
Authors:Tam, H.K, Pos, K.M.
Deposit date:2018-12-06
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB.
J.Mol.Biol., 432, 2020
1HIO
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BU of 1hio by Molmil
HISTONE OCTAMER (CHICKEN), CHROMOSOMAL PROTEIN, ALPHA CARBONS ONLY
Descriptor: HISTONE H2A, HISTONE H2B, HISTONE H3, ...
Authors:Arents, G, Moudrianakis, E.N.
Deposit date:1991-09-19
Release date:1998-11-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The nucleosomal core histone octamer at 3.1 A resolution: a tripartite protein assembly and a left-handed superhelix.
Proc.Natl.Acad.Sci.USA, 88, 1991
1PRW
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BU of 1prw by Molmil
Crystal structure of bovine brain Ca++ calmodulin in a compact form
Descriptor: CALCIUM ION, Calmodulin
Authors:Fallon, J.L, Quiocho, F.A.
Deposit date:2003-06-20
Release date:2003-10-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A closed compact structure of native ca(2+)-calmodulin.
Structure, 11, 2003
7RXQ
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BU of 7rxq by Molmil
Crystal structure of junctophilin-2 in complex with a CaV1.1 peptide
Descriptor: ETHANOL, Junctophilin-2 N-terminal fragment, SULFATE ION, ...
Authors:Yang, Z, Panwar, P, Van Petegem, F.
Deposit date:2021-08-23
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RXE
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BU of 7rxe by Molmil
Crystal structure of junctophilin-2
Descriptor: CITRATE ANION, ISOPROPYL ALCOHOL, Junctophilin-2 N-terminal fragment
Authors:Yang, Z, Panwar, P, Van Petegem, F.
Deposit date:2021-08-22
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RW4
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BU of 7rw4 by Molmil
Crystal structure of junctophilin-1
Descriptor: ACETATE ION, GLYCEROL, Junctophilin-1
Authors:Yang, Z, Panwar, P, Van Petegem, F.
Deposit date:2021-08-19
Release date:2022-02-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structures of the junctophilin/voltage-gated calcium channel interface reveal hot spot for cardiomyopathy mutations.
Proc.Natl.Acad.Sci.USA, 119, 2022
7SMU
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BU of 7smu by Molmil
Crystal Structure of Consomatin-Ro1
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol, Consomatin-Ro1
Authors:Ramiro, I.B.L, Whitby, F.G, Hill, C.P, Safavi-Hemami, H, Concepcion, G.P, Olivera, B.M.
Deposit date:2021-10-26
Release date:2022-04-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Somatostatin venom analogs evolved by fish-hunting cone snails: From prey capture behavior to identifying drug leads.
Sci Adv, 8, 2022
2QST
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BU of 2qst by Molmil
Crystal structure of the V39C mutant of the N-terminal domain of carcinoembryonic antigen (CEA)
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 5
Authors:Le Trong, I, Korotkova, N, Moseley, S.L, Stenkamp, R.E.
Deposit date:2007-07-31
Release date:2008-01-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Binding of Dr adhesins of Escherichia coli to carcinoembryonic antigen triggers receptor dissociation.
Mol.Microbiol., 67, 2008
7SQI
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BU of 7sqi by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C14-crypto Acyl Carrier Protein, AcpP
Descriptor: Acyl carrier protein, Beta-ketoacyl-ACP synthase I, N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Chen, A, Mindrebo, J.T, Davis, T.D, Noel, J.P, Burkart, M.D.
Deposit date:2021-11-05
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
4D79
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BU of 4d79 by Molmil
Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with ATP at 1.768 Angstroem resolution
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, POTASSIUM ION, ...
Authors:Lopez-Estepa, M, Arda, A, Savko, M, Round, A, Shepard, W, Bruix, M, Coll, M, Fernandez, F.J, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2014-11-21
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.
Plos One, 10, 2015
4D7A
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BU of 4d7a by Molmil
Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with AMP at 1.801 Angstroem resolution
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, PHOSPHATE ION, ...
Authors:Lopez-Estepa, M, Arda, A, Savko, M, Round, A, Shepard, W, Bruix, M, Coll, M, Fernandez, F.J, Jimenez-Barbero, J, Vega, M.C.
Deposit date:2014-11-21
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.
Plos One, 10, 2015
7SPP
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BU of 7spp by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with VNAR 2C02
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Shi, K, Aihara, H.
Deposit date:2021-11-02
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Mechanisms of SARS-CoV-2 neutralization by shark variable new antigen receptors elucidated through X-ray crystallography.
Nat Commun, 12, 2021

221051

數據於2024-06-12公開中

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