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4A7H
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BU of 4a7h by Molmil
Structure of the Actin-Tropomyosin-Myosin Complex (rigor ATM 2)
Descriptor: ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Behrmann, E, Mueller, M, Penczek, P.A, Mannherz, H.G, Manstein, D.J, Raunser, S.
Deposit date:2011-11-14
Release date:2012-08-01
Last modified:2017-08-30
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Structure of the Rigor Actin-Tropomyosin-Myosin Complex.
Cell(Cambridge,Mass.), 150, 2012
5X1W
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BU of 5x1w by Molmil
PKM2 in complex with compound 5
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2017-01-27
Release date:2017-05-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
3N66
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BU of 3n66 by Molmil
Structure of neuronal nitric oxide synthase S602H mutant heme domain in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
Descriptor: 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ACETATE ION, CHLORIDE ION, ...
Authors:Li, H, Delker, S.L, Poulos, T.L.
Deposit date:2010-05-25
Release date:2011-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
4EY6
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BU of 4ey6 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine
Descriptor: (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3983 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4E41
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BU of 4e41 by Molmil
Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor G4
Descriptor: HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ...
Authors:Deng, L, Langley, R.J, Wang, Q, Topalian, S.L, Mariuzza, R.A.
Deposit date:2012-03-11
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor G4
Proc.Natl.Acad.Sci.USA, 2012
5WQC
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BU of 5wqc by Molmil
Crystal structure of human orexin 2 receptor bound to the selective antagonist EMPA determined by the synchrotron light source at SPring-8.
Descriptor: N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, ...
Authors:Suno, R, Hirata, K, Yamashita, K, Tsujimoto, H, Sasanuma, M, Horita, S, Yamamoto, M, Rosenbaum, D.M, Iwata, S, Shimamura, T, Kobayashi, T.
Deposit date:2016-11-25
Release date:2017-11-29
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA
Structure, 26, 2018
5WQJ
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BU of 5wqj by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION, Sulfurtransferase
Authors:Suwanai, Y, Toma-Fukai, S, Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017
3UU5
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BU of 3uu5 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel Loop2-20' mutant reduced in solution
Descriptor: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2011-11-28
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
3QIJ
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BU of 3qij by Molmil
Primitive-monoclinic crystal structure of the FERM domain of protein 4.1R
Descriptor: Protein 4.1, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Zhong, N, Tong, Y, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-01-27
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Primitive-monoclinic crystal structure of the FERM domain of protein 4.1R
to be published
4E8O
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BU of 4e8o by Molmil
Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ih from Acinetobacter baumannii
Descriptor: Aac(6')-Ih protein, CHLORIDE ION
Authors:Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-03-20
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.138 Å)
Cite:Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes.
ACS Infect Dis., 3, 2017
3NAR
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BU of 3nar by Molmil
Crystal structure of ZHX1 HD4 (zinc-fingers and homeoboxes protein 1, homeodomain 4)
Descriptor: SULFATE ION, Zinc fingers and homeoboxes protein 1
Authors:Ren, J, Bird, L.E, Owens, R.J, Stammers, D.K, Oxford Protein Production Facility (OPPF)
Deposit date:2010-06-02
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel structural features in two ZHX homeodomains derived from a systematic study of single and multiple domains
Bmc Struct.Biol., 10, 2010
3GPD
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BU of 3gpd by Molmil
TWINNING IN CRYSTALS OF HUMAN SKELETAL MUSCLE D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE
Descriptor: D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Watson, H.C, Campbell, J.C.
Deposit date:1983-06-20
Release date:1983-10-27
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Twinning in crystals of human skeletal muscle D-glyceraldehyde-3-phosphate dehydrogenase.
J.Mol.Biol., 104, 1976
3QJE
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BU of 3qje by Molmil
Human Hemoglobin A Mutant Beta H63L Deoxy-Form
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Birukou, I, Soman, J, Olson, J.S.
Deposit date:2011-01-28
Release date:2011-02-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Determination of Pathways for Oxygen Binding to Human HbA
Thesis
3QJX
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BU of 3qjx by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-Serine
Descriptor: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
Authors:Addlagatta, A, Gumpena, R, Kishor, C, Ganji, R.J.
Deposit date:2011-01-31
Release date:2011-11-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of alpha, beta- and alpha, gamma-Diamino Acid Scaffolds for the Inhibition of M1 Family Aminopeptidases
Chemmedchem, 6, 2011
3NC0
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BU of 3nc0 by Molmil
Crystal structure of the HIV-1 Rev NES-CRM1-RanGTP nuclear export complex (crystal II)
Descriptor: DI(HYDROXYETHYL)ETHER, Exportin-1, GLYCEROL, ...
Authors:Guttler, T, Madl, T, Neumann, P, Deichsel, D, Corsini, L, Monecke, T, Ficner, R, Sattler, M, Gorlich, D.
Deposit date:2010-06-04
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1.
Nat.Struct.Mol.Biol., 17, 2010
3NB3
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BU of 3nb3 by Molmil
The host outer membrane proteins OmpA and OmpC are packed at specific sites in the Shigella phage Sf6 virion as structural components
Descriptor: Outer membrane protein A, Outer membrane protein C
Authors:Zhao, H, Sequeira, R.D, Galeva, N.A, Tang, L.
Deposit date:2010-06-02
Release date:2011-02-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (19 Å)
Cite:The host outer membrane proteins OmpA and OmpC are associated with the Shigella phage Sf6 virion.
Virology, 409, 2011
3UOZ
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BU of 3uoz by Molmil
Crystal Structure of OTEMO complex with FAD and NADP (form 2)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO
Authors:Shi, R, Matte, A, Cygler, M, Lau, P.
Deposit date:2011-11-17
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453.
Appl.Environ.Microbiol., 78, 2012
5WS5
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BU of 5ws5 by Molmil
Native XFEL structure of photosystem II (preflash dark dataset)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2016-12-05
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
3NEL
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BU of 3nel by Molmil
Aspartyl-tRNA synthetase complexed with aspartic acid
Descriptor: ASPARTIC ACID, Aspartyl-tRNA synthetase
Authors:Schmitt, E, Moras, D, Moulinier, L.
Deposit date:2010-06-09
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Crystal structure of aspartyl-tRNA synthetase from Pyrococcus kodakaraensis KOD: archaeon specificity and catalytic mechanism of adenylate formation
Embo J., 17, 1998
3QMZ
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BU of 3qmz by Molmil
Crystal structure of the cytoplasmic dynein heavy chain motor domain
Descriptor: Cytoplasmic dynein heavy chain, Glutathione-S-transferase
Authors:Cho, C, Carter, A.P, Jin, L, Vale, R.D.
Deposit date:2011-02-07
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (6 Å)
Cite:Crystal structure of the dynein motor domain.
Science, 331, 2011
3UZX
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BU of 3uzx by Molmil
Crystal structure of 5beta-reductase (AKR1D1) E120H mutant in complex with NADP+ and epiandrosterone
Descriptor: (3Beta,5alpha)-3-Hydroxyandrostan-17-one, 3-oxo-5-beta-steroid 4-dehydrogenase, 5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL, ...
Authors:Chen, M, Christianson, D.W, Penning, T.M.
Deposit date:2011-12-07
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.637 Å)
Cite:Conversion of Human Steroid 5beta-Reductase (AKR1D1) into 3β-Hydroxysteroid Dehydrogenase by Single Point Mutation E120H: EXAMPLE OF PERFECT ENZYME ENGINEERING.
J.Biol.Chem., 287, 2012
3NCE
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BU of 3nce by Molmil
A mutant human Prolactin receptor antagonist H27A in complex with the mutant extracellular domain H188A of the human prolactin receptor
Descriptor: CARBONATE ION, CHLORIDE ION, Prolactin, ...
Authors:Kulkarni, M.V, Tettamanzi, M.C, Murphy, J.W, Keeler, C, Myszka, D.G, Chayen, N.E, Lolis, E.J, Hodsdon, M.E.
Deposit date:2010-06-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two Independent Histidines, One in Human Prolactin and One in Its Receptor, Are Critical for pH-dependent Receptor Recognition and Activation.
J.Biol.Chem., 285, 2010
3NG7
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BU of 3ng7 by Molmil
Complex of dithionite-reduced 6-hydroxy-L-nicotine oxidase with substrate bound at active site and inhibitor at exit cavity
Descriptor: (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate, 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol, 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol, ...
Authors:Kachalova, G.S, Bartunik, H.D.
Deposit date:2010-06-11
Release date:2011-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystallographic snapshots of the complete reaction cycle of nicotine degradation by an amine oxidase of the monoamine oxidase (MAO) family
Proc.Natl.Acad.Sci.USA, 108, 2011
5WF5
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BU of 5wf5 by Molmil
Agonist bound human A2a adenosine receptor with D52N mutation at 2.60 A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera
Authors:White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C.
Deposit date:2017-07-11
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
4EFH
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BU of 4efh by Molmil
Acanthamoeba Actin complex with Spir domain D
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-1, CALCIUM ION, ...
Authors:Chen, C, Phillips, M, Sawaya, M.R, Quinlan, M.E.
Deposit date:2012-03-29
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Multiple Forms of Spire-Actin Complexes and their Functional Consequences.
J.Biol.Chem., 287, 2012

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数据于2024-09-04公开中

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