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6ZFO
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BU of 6zfo by Molmil
Association of two complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-17
Release date:2020-07-08
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
5VK2
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BU of 5vk2 by Molmil
Structural basis for antibody-mediated neutralization of Lassa virus
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:Hastie, K.M, Zandonatti, M.A, Kleinfelter, L.M, Rowland, M.L, Rowland, M.M, Chandra, K, Branco, L.M, Robinson, J.E, Garry, R.F, Saphire, E.O.
Deposit date:2017-04-20
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:Structural basis for antibody-mediated neutralization of Lassa virus.
Science, 356, 2017
6Z1A
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BU of 6z1a by Molmil
Ternary complex of Staphylococcus aureus DNA gyrase with AMK12 and DNA
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Kolaric, A, Germe, T, Hrast, M, Stevenson, C.E.M, Lawson, D.M, Burton, N, Voros, J, Maxwell, A, Minovski, N, Anderluh, M.
Deposit date:2020-05-13
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds.
Nat Commun, 12, 2021
6ZDG
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BU of 6zdg by Molmil
Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-14
Release date:2020-07-29
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
6ZCZ
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BU of 6zcz by Molmil
Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ...
Authors:Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-12
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
1MCP
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BU of 1mcp by Molmil
PHOSPHOCHOLINE BINDING IMMUNOGLOBULIN FAB MC/PC603. AN X-RAY DIFFRACTION STUDY AT 2.7 ANGSTROMS
Descriptor: IGA-KAPPA MCPC603 FAB (HEAVY CHAIN), IGA-KAPPA MCPC603 FAB (LIGHT CHAIN), SULFATE ION
Authors:Satow, Y, Cohen, G.H, Padlan, E.A, Davies, D.R.
Deposit date:1984-07-09
Release date:1985-01-02
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Phosphocholine binding immunoglobulin Fab McPC603. An X-ray diffraction study at 2.7 A.
J.Mol.Biol., 190, 1986
3UOM
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BU of 3uom by Molmil
Ca2+ complex of Human skeletal calsequestrin
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
Authors:Sanchez, E.J, Lewis, K.M, Danna, B.R, Nissen, M.S, Kang, C.H.
Deposit date:2011-11-16
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:High-capacity Ca2+ Binding of Human Skeletal Calsequestrin.
J.Biol.Chem., 287, 2012
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
Descriptor: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
5VWV
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BU of 5vwv by Molmil
Bak core latch dimer in complex with Bim-BH3 - Cubic
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ...
Authors:Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5VX2
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BU of 5vx2 by Molmil
Mcl-1 in complex with Bim-h3Pc-RT
Descriptor: 1,2-ETHANEDIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera
Authors:Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
1MDX
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BU of 1mdx by Molmil
Crystal structure of ArnB transferase with pyridoxal 5' phosphate
Descriptor: 2-OXOGLUTARIC ACID, ArnB aminotransferase, GLYCEROL, ...
Authors:Noland, B.W, Newman, J.M, Hendle, J, Badger, J, Christopher, J.A, Tresser, J, Buchanan, M.D, Wright, T.A, Rutter, M.E, Sanderson, W.E, Muller-Dieckmann, H.-J, Gajiwala, K.S, Sauder, J.M, Buchanan, S.G.
Deposit date:2002-08-07
Release date:2002-12-11
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
5VI4
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BU of 5vi4 by Molmil
IL-33/ST2/IL-1RAcP ternary complex structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-1 receptor accessory protein, Interleukin-1 receptor-like 1, ...
Authors:Guenther, S, Sundberg, E.J.
Deposit date:2017-04-13
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:IL-1 Family Cytokines Use Distinct Molecular Mechanisms to Signal through Their Shared Co-receptor.
Immunity, 47, 2017
1MK5
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BU of 1mk5 by Molmil
Wildtype Core-Streptavidin with Biotin at 1.4A.
Descriptor: BIOTIN, Streptavidin
Authors:Hyre, D.E, Le Trong, I, Merritt, E.A, Green, N.M, Stenkamp, R.E, Stayton, P.S.
Deposit date:2002-08-28
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cooperative hydrogen bond interactions in the streptavidin-biotin system
Protein Sci., 15, 2006
1W20
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BU of 1w20 by Molmil
Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 3 hours at 291 K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F.
Deposit date:2004-06-24
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites
To be Published
6ZDH
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BU of 6zdh by Molmil
SARS-CoV-2 Spike glycoprotein in complex with a neutralizing antibody EY6A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, ...
Authors:Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I.
Deposit date:2020-06-14
Release date:2020-07-01
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
4WCM
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BU of 4wcm by Molmil
Crystal Structure of Cell Shape Determinant protein Csd4 Gln46His variant from Helicobacter pylori
Descriptor: 2,6-DIAMINOPIMELIC ACID, Conserved hypothetical secreted protein, IODIDE ION, ...
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2014-09-05
Release date:2014-12-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Helical Shape of Helicobacter pylori Requires an Atypical Glutamine as a Zinc Ligand in the Carboxypeptidase Csd4.
J.Biol.Chem., 290, 2015
1MD2
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BU of 1md2 by Molmil
CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013
Descriptor: 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, CHOLERA TOXIN B SUBUNIT, CYANIDE ION, ...
Authors:Zhang, Z, Merritt, E.A, Ahn, M, Roach, C, Hol, W.G.J, Fan, E.
Deposit date:2002-08-06
Release date:2002-12-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin.
J.Am.Chem.Soc., 124, 2002
1MEP
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BU of 1mep by Molmil
Crystal Structure of Streptavidin Double Mutant S45A/D128A with Biotin: Cooperative Hydrogen-Bond Interactions in the Streptavidin-Biotin System.
Descriptor: BIOTIN, Streptavidin
Authors:Hyre, D.E, Le Trong, I, Merritt, E.A, Stenkamp, R.E, Green, N.M, Stayton, P.S.
Deposit date:2002-08-08
Release date:2003-09-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Cooperative hydrogen bond interactions in the streptavidin-biotin system
Protein Sci., 15, 2006
4USF
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BU of 4usf by Molmil
Human SLK with SB-440719
Descriptor: 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE
Authors:Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2014-07-07
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
1WA3
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BU of 1wa3 by Molmil
Mechanism of the Class I KDPG aldolase
Descriptor: 2-KETO-3-DEOXY-6-PHOSPHOGLUCONATE ALDOLASE, PYRUVIC ACID, SULFATE ION
Authors:Fullerton, S.W.B, Griffiths, J.S, Merkel, A.B, Wymer, N.J, Hutchins, M.J, Fierke, C.A, Toone, E.J, Naismith, J.H.
Deposit date:2004-10-22
Release date:2005-01-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
1W7F
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BU of 1w7f by Molmil
Crystal structure of the class A beta-lactamase BS3 inhibited with isocitrate
Descriptor: BETA-LACTAMASE, ISOCITRIC ACID
Authors:Petrella, S, Sauvage, E, Herman, R, Charlier, P.
Deposit date:2004-09-01
Release date:2006-05-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Class a Beta-Lactamase Bs3 Bs3 Inhibited with Isocitrate
To be Published
5VX0
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BU of 5vx0 by Molmil
Bak in complex with Bim-h3Glg
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ...
Authors:Brouwer, J.M, Lan, P, Lessene, G, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
4WCL
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BU of 4wcl by Molmil
Crystal Structure of product bound Cell Shape Determinant protein Csd4 from Helicobacter pylori
Descriptor: 2,6-DIAMINOPIMELIC ACID, Conserved hypothetical secreted protein, IODIDE ION, ...
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2014-09-05
Release date:2014-12-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Helical Shape of Helicobacter pylori Requires an Atypical Glutamine as a Zinc Ligand in the Carboxypeptidase Csd4.
J.Biol.Chem., 290, 2015
4WCN
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BU of 4wcn by Molmil
Crystal Structure of Tripeptide bound Cell Shape Determinant Csd4 protein from Helicobacter pylori
Descriptor: Conserved hypothetical secreted protein, IODIDE ION, N-acetyl-L-alanyl-N-[(1S,5R)-5-amino-1,5-dicarboxypentyl]-D-glutamine, ...
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2014-09-05
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Helical Shape of Helicobacter pylori Requires an Atypical Glutamine as a Zinc Ligand in the Carboxypeptidase Csd4.
J.Biol.Chem., 290, 2015

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