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5U1V
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BU of 5u1v by Molmil
Crystal structure of the ATP-gated P2X7 ion channel bound to allosteric antagonist A804598
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine, ...
Authors:Karasawa, A, Kawate, T.
Deposit date:2016-11-29
Release date:2017-01-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for subtype-specific inhibition of the P2X7 receptor.
Elife, 5, 2016
7KQQ
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BU of 7kqq by Molmil
Crystal structure of human WDR55
Descriptor: UNKNOWN ATOM OR ION, WD repeat-containing protein 55
Authors:Zeng, H, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2020-11-17
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human WDR55
To Be Published
6PMY
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BU of 6pmy by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2019-07-02
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
6Y33
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BU of 6y33 by Molmil
Streptavidin mutant S112R with a biotC5-1 cofactor - an artificial iron hydroxylase
Descriptor: GLYCEROL, Streptavidin, biotC5-1 cofactor
Authors:Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R.
Deposit date:2020-02-17
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
5EZC
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BU of 5ezc by Molmil
A de novo designed heptameric coiled coil CC-Hept-I18C-L22H-I25E
Descriptor: CC-Hept-C-H-E
Authors:Burton, A.J, Brady, R.L, Woolfson, D.N.
Deposit date:2015-11-26
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Installing hydrolytic activity into a completely de novo protein framework.
Nat.Chem., 8, 2016
5EZM
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BU of 5ezm by Molmil
Crystal Structure of ArnT from Cupriavidus metallidurans in the apo state
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose transferase or related glycosyltransferases of PMT family, CHLORIDE ION, ...
Authors:Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2015-11-26
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation.
Science, 351, 2016
7PGO
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BU of 7pgo by Molmil
Crystal Structure of a Class D Carbapenemase_R250A
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-15
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
8RHQ
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BU of 8rhq by Molmil
Crystal structure of HLA-A*11:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
Deposit date:2023-12-16
Release date:2024-05-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
6PN9
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BU of 6pn9 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-4-methylquinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2019-07-02
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
8QM0
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BU of 8qm0 by Molmil
Crystal structure of the pneumococcal Substrate-binding protein AmiA in complex with Peptide 5
Descriptor: ALA-LYS-THR-ILE-LYS-ILE-THR-GLN-THR-ARG, Oligopeptide-binding protein AmiA
Authors:Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.
Deposit date:2023-09-20
Release date:2024-05-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
5UA1
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BU of 5ua1 by Molmil
Mycobacterium tuberculosis KstR in complex with a 18-bp DNA operator
Descriptor: DNA (5'-D(*AP*CP*TP*AP*GP*AP*AP*CP*GP*TP*GP*TP*TP*CP*TP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*GP*TP*TP*CP*TP*AP*GP*T)-3'), HTH-type transcriptional repressor KstR, ...
Authors:Ho, N.A.T, Dawes, S.S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2016-12-18
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of KstR in complex with cognate DNA operator
To Be Published
5F04
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BU of 5f04 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 3 at 1.84A resolution
Descriptor: 1,2-ETHANEDIOL, 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one, GLYCEROL, ...
Authors:Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2015-11-27
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
6EWM
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BU of 6ewm by Molmil
Crystal structure of heme free PORPHYROMONAS GINGIVALIS HEME-BINDING PROTEIN HMUY
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Haemophore HmuY, ...
Authors:Antonyuk, S.V, Strange, R.W, Bielecki, M, Olczak, T, Olczak, M.
Deposit date:2017-11-05
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tannerella forsythiaTfo belongs toPorphyromonas gingivalisHmuY-like family of proteins but differs in heme-binding properties.
Biosci. Rep., 38, 2018
8R56
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BU of 8r56 by Molmil
Crystal structure of GH31 family Sulfoquinovosidase BmSQase in covalent complex with SQ-aziridine (SQZ)
Descriptor: Glycosyl hydrolase, family 31, POTASSIUM ION, ...
Authors:Sharma, M, Davies, G.J.
Deposit date:2023-11-16
Release date:2024-05-08
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Detection of Sulfoquinovosidase Activity in Cell Lysates Using Activity-Based Probes.
Angew.Chem.Int.Ed.Engl., 63, 2024
7PIZ
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BU of 7piz by Molmil
The structure of phosphoglucomutase from Candida albicans
Descriptor: Phosphoglucomutase, SULFATE ION
Authors:Yan, K, van Aalten, D.M.F.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
5UAV
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BU of 5uav by Molmil
Structure of human PYCR-1 complexed with NADPH and L-tetrahydrofuroic acid
Descriptor: DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pyrroline-5-carboxylate reductase 1, ...
Authors:Tanner, J.J.
Deposit date:2016-12-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1.
J. Biol. Chem., 292, 2017
8RBU
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BU of 8rbu by Molmil
Crystal structure of HLA-A*11:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
Authors:Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
Deposit date:2023-12-05
Release date:2024-05-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
6AXN
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BU of 6axn by Molmil
F95C Epi-isozizaene synthase
Descriptor: Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
Authors:Blank, P.N, Barrow, G.H, Christianson, D.W.
Deposit date:2017-09-07
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes.
Biochemistry, 56, 2017
8QAM
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BU of 8qam by Molmil
vaccinia virus Uracil DNA glycosidase mutant I197K-V200E-L204K
Descriptor: GLYCEROL, SULFATE ION, Uracil-DNA glycosylase
Authors:Tarbouriech, N, Burmeister, W.P.
Deposit date:2023-08-23
Release date:2024-05-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structure and flexibility of the DNA polymerase holoenzyme of vaccinia virus.
Plos Pathog., 20, 2024
6PI6
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BU of 6pi6 by Molmil
The evolving story of AtzT, a periplasmic binding protein
Descriptor: 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol, Atrazine periplasmic binding protein, DIMETHYL SULFOXIDE
Authors:Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T.
Deposit date:2019-06-26
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
6AXU
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BU of 6axu by Molmil
W203Y Epi-isozizaene synthase
Descriptor: Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ...
Authors:Blank, P.N, Barrow, G.H, Christianson, D.W.
Deposit date:2017-09-07
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.822 Å)
Cite:Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes.
Biochemistry, 56, 2017
6EXR
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BU of 6exr by Molmil
CHEMOTAXIS PROTEIN CHEY FROM Pyrococcus horikoshiI
Descriptor: 120aa long hypothetical chemotaxis protein (CheY)
Authors:Paithankar, K.S, Enderle, M.E, Wirthensohn, D, Grininger, M, Oesterhelt, D.
Deposit date:2017-11-09
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation.
Acta Crystallogr.,Sect.F, 75, 2019
6BGB
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BU of 6bgb by Molmil
Crystal Structure of the 16mer GCAGNCUUAAGUCUGC containing BrPh 7-triazolyl-8-aza-7-deazaadenosine
Descriptor: (5'-R(*GP*CP*AP*GP*(A7C)P*CP*UP*UP*AP*AP*GP*UP*CP*UP*GP*C)-3')
Authors:Fisher, A.J, Beal, P.A, Mumbleau, M.M.
Deposit date:2017-10-27
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Controlling miRNA-like off-target effects of an siRNA with nucleobase modifications.
Org. Biomol. Chem., 15, 2017
6Y48
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BU of 6y48 by Molmil
Baeyer-Villiger monooxygenase BVMOAFL210 from Aspergillus flavus in complex with NADP
Descriptor: Baeyer-Villiger monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Opperman, D.J, Tolmie, C.
Deposit date:2020-02-19
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Natural Variation in the ‘Control Loop’ of BVMOAFL210 and Its Influence on Regioselectivity and Sulfoxidation
Catalysts, 2020
6YE3
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BU of 6ye3 by Molmil
IL-2 in complex with a Fab fragment from UFKA-20
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chains: A,D,G, Chains: B,E,H, ...
Authors:Karakus, U, Mittl, P, Boyman, O.
Deposit date:2020-03-23
Release date:2020-12-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Receptor-gated IL-2 delivery by an anti-human IL-2 antibody activates regulatory T cells in three different species.
Sci Transl Med, 12, 2020

224201

数据于2024-08-28公开中

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