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8FGP
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BU of 8fgp by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methoxypyridin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-12-12
Release date:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGL
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BU of 8fgl by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(2,3-difluoro-5-(2-(4-methylpiperazin-1-yl)ethyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2022-12-12
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8UNQ
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BU of 8unq by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class F)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-10-19
Release date:2024-03-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8UNL
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BU of 8unl by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class A)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-10-19
Release date:2024-03-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
2YO2
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BU of 2yo2 by Molmil
Salmonella enterica SadA 255-358 fused to GCN4 adaptors (SadAK12)
Descriptor: GENERAL CONTROL PROTEIN GCN4, PUTATIVE INNER MEMBRANE PROTEIN
Authors:Hartmann, M.D, Hernandez Alvarez, B, Lupas, A.N.
Deposit date:2012-10-20
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Complete Fiber Structures of Complex Trimeric Autotransporter Adhesins Conserved in Enterobacteria.
Proc.Natl.Acad.Sci.USA, 109, 2012
8UNX
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BU of 8unx by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class M)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-10-19
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
2YJE
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BU of 2yje by Molmil
Oligomeric assembly of actin bound to MRTF-A
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Mouilleron, S, Langer, C.A, Guettler, S, McDonald, N.Q, Treisman, R.
Deposit date:2011-05-19
Release date:2011-07-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of a pentavalent G-actin*MRTF-A complex reveals how G-actin controls nucleocytoplasmic shuttling of a transcriptional coactivator.
Sci Signal, 4, 2011
2NSR
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BU of 2nsr by Molmil
Nitromethane Modified Horse Heart Myoglobin
Descriptor: Myoglobin, NITROSOMETHANE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, West, A.H, Richter-Addo, G.B.
Deposit date:2006-11-06
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nitrosoalkane and Nitrosoarene Binding to Myoglobin and Heme Models
To be Published
6SRR
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BU of 6srr by Molmil
Crystal structure of human SHIP2 catalytic domain
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
Authors:Whitfield, H, Brearley, C.A, Hemmings, A.M.
Deposit date:2019-09-05
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Allosteric Site on SHIP2 Identified Through Fluorescent Ligand Screening and Crystallography: A Potential New Target for Intervention.
J.Med.Chem., 64, 2021
8UNO
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BU of 8uno by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class D)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-10-19
Release date:2024-03-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
8UNV
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BU of 8unv by Molmil
CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class K)
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Papasergi-Scott, M.M, Skiniotis, G.
Deposit date:2023-10-19
Release date:2024-03-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
6B8F
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BU of 6b8f by Molmil
Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain
Authors:Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A.
Deposit date:2017-10-07
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
2Y6N
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BU of 2y6n by Molmil
STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A 8.8 MONOACYLGLYCEROL LIPID CUBIC PHASE.
Descriptor: O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, POLYETHYLENE GLYCOL (N=34), VAL-GRAMICIDIN A
Authors:Hoefer, N, Aragao, D, Caffrey, M.
Deposit date:2011-01-25
Release date:2011-05-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Membrane Protein Crystallization in Lipidic Mesophases. Hosting Lipid Effects on the Crystallization and Structure of a Transmembrane Peptide
Cryst.Growth Des., 11, 2011
6YGH
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BU of 6ygh by Molmil
Duck hepatitis B virus capsid
Descriptor: Capsid protein
Authors:Makbul, C, Bottcher, B.
Deposit date:2020-03-27
Release date:2020-09-02
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Slowly folding surface extension in the prototypic avian hepatitis B virus capsid governs stability.
Elife, 9, 2020
7Q85
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BU of 7q85 by Molmil
Crystal structure of human STING in complex with MD1193
Descriptor: 9-[(1R,6R,8R,13E,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine, Stimulator of interferon genes protein
Authors:Smola, M, Klima, M, Boura, E.
Deposit date:2021-11-10
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.359 Å)
Cite:Vinylphosphonate-based cyclic dinucleotides enhance STING-mediated cancer immunotherapy.
Eur.J.Med.Chem., 259, 2023
2YCP
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BU of 2ycp by Molmil
F448H mutant of tyrosine phenol-lyase from Citrobacter freundii in complex with quinonoid intermediate formed with 3-fluoro-L-tyrosine
Descriptor: (2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid, 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Milic, D, Demidkina, T.V, Faleev, N.G, Phillips, R.S, Matkovic-Calogovic, D, Antson, A.A.
Deposit date:2011-03-16
Release date:2011-09-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Snapshots of Tyrosine Phenol-Lyase Show that Substrate Strain Plays a Role in C-C Bond Cleavage
J.Am.Chem.Soc., 133, 2011
8UZW
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BU of 8uzw by Molmil
Selenocysteine synthase- SelA
Descriptor: L-seryl-tRNA(Sec) selenium transferase
Authors:Balasco Serrao, V.H, Minari, K, Pereira, H.M, Thiemann, O.H.
Deposit date:2023-11-16
Release date:2024-04-24
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Bacterial selenocysteine synthase structure revealed by single-particle cryoEM.
Curr Res Struct Biol, 7, 2024
4OFZ
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BU of 4ofz by Molmil
Structure of unliganded trehalose-6-phosphate phosphatase from Brugia malayi
Descriptor: MAGNESIUM ION, Trehalose-phosphatase
Authors:Farelli, J.D, Allen, K.N, Carlow, C.K.S, Dunaway-Mariano, D.
Deposit date:2014-01-15
Release date:2014-07-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Trehalose-6-phosphate Phosphatase from Brugia malayi Reveals Key Design Principles for Anthelmintic Drugs.
Plos Pathog., 10, 2014
2YJV
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BU of 2yjv by Molmil
Crystal structure of E. coli regulator of ribonuclease activity A (RraA) bound to fragment of DEAD-box protein RhlB
Descriptor: ATP-DEPENDENT RNA HELICASE RHLB, REGULATOR OF RIBONUCLEASE ACTIVITY A
Authors:Pietras, Z, Hardwick, S.W, Luisi, B.F.
Deposit date:2011-05-24
Release date:2012-06-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potential regulatory interactions of Escherichia coli RraA protein with DEAD-box helicases.
J. Biol. Chem., 288, 2013
6AYW
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BU of 6ayw by Molmil
The structure of human CamKII with bound inhibitor
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium/calmodulin-dependent protein kinase type II subunit delta, N-[2-(dimethylamino)ethyl]-3-[6-(thiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]benzamide
Authors:Somoza, J.R, Villasenor, A.G.
Deposit date:2017-09-08
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of human CamKII with bound inhibitor
To Be Published
6YI1
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BU of 6yi1 by Molmil
Crystal structure of human glutaminyl cyclase in complex with Glu(gamma-hydrazide)-Phe-Ala
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Kupski, O, Sautner, V, Tittmann, K.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Hydrazides Are Potent Transition-State Analogues for Glutaminyl Cyclase Implicated in the Pathogenesis of Alzheimer's Disease.
Biochemistry, 59, 2020
7QSV
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BU of 7qsv by Molmil
L8-complex forming RubisCO derived from ancestral sequence reconstruction of the last common ancestor of Form I'' and Form I RubisCOs
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
Authors:Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
Deposit date:2022-01-14
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
3O65
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BU of 3o65 by Molmil
Crystal structure of a Josephin-ubiquitin complex: Evolutionary restraints on ataxin-3 deubiquitinating activity
Descriptor: Putative ataxin-3-like protein, SODIUM ION, Ubiquitin
Authors:Weeks, S.D, Grasty, K.C, Hernandez-Cuebas, L, Loll, P.J.
Deposit date:2010-07-28
Release date:2010-11-24
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of a Josephin-Ubiquitin Complex: EVOLUTIONARY RESTRAINTS ON ATAXIN-3 DEUBIQUITINATING ACTIVITY.
J.Biol.Chem., 286, 2011
6OWI
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BU of 6owi by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 85
Descriptor: GLYCEROL, Histone acetyltransferase KAT8, N'-[(2-fluorophenyl)sulfonyl]benzohydrazide, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-05-09
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
5NOG
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BU of 5nog by Molmil
Ca2+-induced Movement of Tropomyosin on Native Cardiac Thin Filaments - "Blocked" state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cardiac muscle alpha actin 1, MAGNESIUM ION, ...
Authors:Risi, C, Eisner, J, Belknap, B, Heeley, D.H, White, H.D, Schroeder, G.F, Galkin, V.E.
Deposit date:2017-04-12
Release date:2017-07-19
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Ca(2+)-induced movement of tropomyosin on native cardiac thin filaments revealed by cryoelectron microscopy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

223790

數據於2024-08-14公開中

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