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4WBD
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BU of 4wbd by Molmil
The crystal structure of BshC from Bacillus subtilis complexed with citrate and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BSHC, CITRIC ACID, ...
Authors:Cook, P.D, VanDuinen, A.J, Winchell, K.R.
Deposit date:2014-09-03
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:X-ray Crystallographic Structure of BshC, a Unique Enzyme Involved in Bacillithiol Biosynthesis.
Biochemistry, 54, 2015
4N2N
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BU of 4n2n by Molmil
Crystal structure of Protein Arginine Deiminase 2 (E354A, 10 mM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-05
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
7LUS
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BU of 7lus by Molmil
IgG2 Fc Charge Pair Mutation version 1 (CPMv1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy constant gamma 2
Authors:Sudom, A, Whittington, D, Garces, F, Wang, Z.
Deposit date:2021-02-23
Release date:2021-09-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Next generation Fc scaffold for multispecific antibodies.
Iscience, 24, 2021
7LX6
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BU of 7lx6 by Molmil
T4 lysozyme mutant L99A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole, Lysozyme
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-03-03
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LT6
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BU of 7lt6 by Molmil
Structure of Partial Beta-Hairpin LIR from FNIP2 Bound to GABARAP
Descriptor: Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein
Authors:Appleton, B.A.
Deposit date:2021-02-18
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis.
Sci Adv, 7, 2021
7M2H
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BU of 7m2h by Molmil
Structural Snapshots of Intermediates in the Gating of a K+ Channel
Descriptor: DIACYL GLYCEROL, Fab heavy chain, Fab light chain, ...
Authors:Reddi, R, Valiyaveetil, F.I.
Deposit date:2021-03-16
Release date:2021-10-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.642 Å)
Cite:Structures of Gating Intermediates in a K + channell.
J.Mol.Biol., 433, 2021
7M2J
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BU of 7m2j by Molmil
Structural Snapshots of Intermediates in the Gating of a K+ Channel
Descriptor: Monoclonal antibody (IgG) against KcsA, Fab heavy chain, Fab light chain, ...
Authors:Reddi, R, Valiyaveetil, F.I.
Deposit date:2021-03-16
Release date:2021-10-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Structures of Gating Intermediates in a K + channell.
J.Mol.Biol., 433, 2021
7M2I
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BU of 7m2i by Molmil
Structural Snapshots of Intermediates in the Gating of a K+ Channel
Descriptor: (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, Monoclonal antibody (IgG) against KcsA, Fab heavy chain, ...
Authors:Reddi, R, Valiyaveetil, F.I.
Deposit date:2021-03-16
Release date:2021-10-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:Structures of Gating Intermediates in a K + channell.
J.Mol.Biol., 433, 2021
7M72
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BU of 7m72 by Molmil
MHC-like protein complex structure
Descriptor: (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Thirunavukkarasu, P, Le Nours, J, Rossjohn, J.
Deposit date:2021-03-26
Release date:2021-11-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Host immunomodulatory lipids created by symbionts from dietary amino acids.
Nature, 600, 2021
3U2Z
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BU of 3u2z by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one, Pyruvate kinase isozymes M1/M2, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-10-04
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis.
Nat.Chem.Biol., 8, 2012
4N2C
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BU of 4n2c by Molmil
Crystal structure of Protein Arginine Deiminase 2 (F221/222A, 10 mM Ca2+)
Descriptor: CALCIUM ION, Protein-arginine deiminase type-2
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-04
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.022 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4N2H
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BU of 4n2h by Molmil
Crystal structure of Protein Arginine Deiminase 2 (D177A, 0 mM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-04
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
4EI5
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BU of 4ei5 by Molmil
Crystal Structure of XV19 TCR in complex with CD1d-sulfatide C24:1
Descriptor: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Patel, O, Gras, S, Rossjohn, J.
Deposit date:2012-04-04
Release date:2012-07-25
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Recognition of CD1d-sulfatide mediated by a type II natural killer T cell antigen receptor.
Nat.Immunol., 13, 2012
4N20
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BU of 4n20 by Molmil
Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R.
Deposit date:2013-10-04
Release date:2015-02-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.657 Å)
Cite:Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
3U8R
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BU of 3u8r by Molmil
Human thrombin complexed with D-Phe-Pro-D-Arg-Ile
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B.
Deposit date:2011-10-17
Release date:2012-05-23
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
4EGC
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BU of 4egc by Molmil
Crystal Structure of MBP-fused Human Six1 Bound to Human Eya2 Eya Domain
Descriptor: Eyes absent homolog 2, MAGNESIUM ION, Maltose-binding periplasmic protein, ...
Authors:Zhao, R, Patrick, A.N.
Deposit date:2012-03-30
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Structure-function analyses of the human SIX1-EYA2 complex reveal insights into metastasis and BOR syndrome.
Nat.Struct.Mol.Biol., 20, 2013
4E52
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BU of 4e52 by Molmil
Crystal structure of Haemophilus Eagan 4A polysaccharide bound human lung surfactant protein D
Descriptor: 4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid-(5-1)-L-glycero-alpha-D-manno-heptopyranose, CALCIUM ION, Pulmonary surfactant-associated protein D
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2012-03-13
Release date:2013-03-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a Complex of Surfactant Protein D (SP-D) and Haemophilus influenzae Lipopolysaccharide Reveals Shielding of Core Structures in SP-D-Resistant Strains.
Infect.Immun., 84, 2016
3TLU
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BU of 3tlu by Molmil
The GLIC pentameric Ligand-Gated Ion Channel Loop2-24' oxidized mutant in a locally-closed conformation (LC1 subtype)
Descriptor: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein
Authors:Sauguet, L, Nury, H, Corringer, P.J, Delarue, M.
Deposit date:2011-08-30
Release date:2012-05-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
3HCF
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BU of 3hcf by Molmil
Crystal Structure of hPNMT in Complex With 3-trifluoromethyl phenylethanolamine and AdoHcy
Descriptor: (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol, 1,2-ETHANEDIOL, Phenylethanolamine N-methyltransferase, ...
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-05-06
Release date:2009-08-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity.
Biochem.J., 422, 2009
3GKM
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BU of 3gkm by Molmil
Insights into the Alkyl Peroxide Reduction Activity of Xanthomonas campestris Bacterioferritin Comigratory Protein from the Trapped Intermediate/Ligand Complex Structures
Descriptor: Bacterioferritin comigratory protein, FORMIC ACID
Authors:Liao, S.-J.
Deposit date:2009-03-11
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Insights into the alkyl peroxide reduction pathway of Xanthomonas campestris bacterioferritin comigratory protein from the trapped intermediate-ligand complex structures
J.Mol.Biol., 390, 2009
7LXZ
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BU of 7lxz by Molmil
SARS-CoV-2 S/S2M11/S2L28 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
5WCM
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BU of 5wcm by Molmil
Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement
Descriptor: 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION
Authors:Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S.
Deposit date:2017-06-30
Release date:2017-07-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob. Agents Chemother., 54, 2010
7LY2
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BU of 7ly2 by Molmil
SARS-CoV-2 S/S2M11/S2M28 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2M11 Fab Heavy Chain variable region, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
3GKK
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BU of 3gkk by Molmil
Insights into the Alkyl Peroxide Reduction Activity of Xanthomonas campestris Bacterioferritin Comigratory Protein from the Trapped Intermediate/Ligand Complex Structures
Descriptor: Bacterioferritin comigratory protein, SULFATE ION
Authors:Liao, S.-J.
Deposit date:2009-03-11
Release date:2009-06-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Insights into the alkyl peroxide reduction pathway of Xanthomonas campestris bacterioferritin comigratory protein from the trapped intermediate-ligand complex structures
J.Mol.Biol., 390, 2009
7LXX
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BU of 7lxx by Molmil
SARS-CoV-2 S/S2M11/S2L28 Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2L28 Fab Heavy Chain variable region, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021

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数据于2025-10-08公开中

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