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1B5P
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BU of 1b5p by Molmil
THERMUS THERMOPHILUS ASPARTATE AMINOTRANSFERASE DOUBLE MUTANT 1
Descriptor: PHOSPHATE ION, PROTEIN (ASPARTATE AMINOTRANSFERASE), PYRIDOXAL-5'-PHOSPHATE
Authors:Ura, H, Nakai, T, Kawaguchi, S.I, Miyahara, I, Hirotsu, K, Kuramitsu, S.
Deposit date:1999-01-07
Release date:2003-09-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate recognition mechanism of thermophilic dual-substrate enzyme
J.BIOCHEM.(TOKYO), 130, 2001
7NFG
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BU of 7nfg by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFH
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BU of 7nfh by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFN
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BU of 7nfn by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21N-I24N.
Descriptor: CC-Type2-(LaId)4-L21N-I24N, HEXANE-1,6-DIOL
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
6E7S
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BU of 6e7s by Molmil
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Regan, M.C, Furukawa, H.
Deposit date:2018-07-27
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural elements of a pH-sensitive inhibitor binding site in NMDA receptors
Nat Commun, 10, 2019
7N07
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BU of 7n07 by Molmil
Crystal structure of the apo 3D6 antibody fragment
Descriptor: Fab 3D6 heavy chain, Fab 3D6 light chain, SULFATE ION
Authors:Cook, J.D, Lee, J.E.
Deposit date:2021-05-25
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
7N08
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BU of 7n08 by Molmil
Crystal structure of the 3D6 antibody fragment bound to the HIV-1 gp41 immunodominant region
Descriptor: Fab 3D6 heavy chain, Fab 3D6 light chain, HIV-1 gp41 immunodominant region
Authors:Cook, J.D, Lee, J.E.
Deposit date:2021-05-25
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
7MX1
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BU of 7mx1 by Molmil
PLK-1 polo-box domain in complex with a high affinity macrocycle synthesized using a novel glutamic acid analog
Descriptor: ACE-PRO-LEU-ALA-SER-TPO, N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide, Serine/threonine-protein kinase PLK1
Authors:Grant, R.A, Hymel, D, Yaffe, M.B, Burke, T.R.
Deposit date:2021-05-17
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Design and synthesis of a new orthogonally protected glutamic acid analog and its use in the preparation of high affinity polo-like kinase 1 polo-box domain - binding peptide macrocycles.
Org.Biomol.Chem., 19, 2021
7PDY
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BU of 7pdy by Molmil
A viral peptide from Marek's disease virus bound to chicken MHC-II molecule
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 38 kDa phosphoprotein,MHC class II beta chain, ...
Authors:Goryanin, A, Cook, A.G, Kaufman, J, Halabi, S.
Deposit date:2021-08-09
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Viral peptide bound to chicken MHC-II molecule
To Be Published
7N05
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BU of 7n05 by Molmil
Crystal structure of the F240 antibody fragment bound to the HIV-1 gp41 immunodominant region
Descriptor: ACETATE ION, Fab F240 heavy chain, Fab F240 light chain, ...
Authors:Cook, J.D, Lee, J.E.
Deposit date:2021-05-25
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
7N2M
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BU of 7n2m by Molmil
Crystal structure of DNA polymerase alpha catalytic core in complex with dCTP and template/primer having T-C mismatch at the post-insertion site
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*T*AP*GP*TP*CP*GP*CP*TP*CP*CP*AP*GP*GP*C)-3'), DNA polymerase alpha catalytic subunit, ...
Authors:Tahirov, T.H, Baranovskiy, A.G, Babayeva, N.D.
Deposit date:2021-05-29
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional insight into mismatch extension by human DNA polymerase alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
4UI2
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BU of 4ui2 by Molmil
Crystal structure of the ternary RGMB-BMP2-NEO1 complex
Descriptor: ACETATE ION, BONE MORPHOGENETIC PROTEIN 2, BMP2, ...
Authors:Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C.
Deposit date:2015-03-27
Release date:2015-05-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein.
Nat.Struct.Mol.Biol., 22, 2015
7SPO
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BU of 7spo by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with VNAR 3B4
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
Authors:Shi, K, Aihara, H.
Deposit date:2021-11-02
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Mechanisms of SARS-CoV-2 neutralization by shark variable new antigen receptors elucidated through X-ray crystallography.
Nat Commun, 12, 2021
1AQ6
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BU of 1aq6 by Molmil
STRUCTURE OF L-2-HALOACID DEHALOGENASE FROM XANTHOBACTER AUTOTROPHICUS
Descriptor: FORMIC ACID, L-2-HALOACID DEHALOGENASE
Authors:Ridder, I.S, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W.
Deposit date:1997-08-07
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-dimensional structure of L-2-haloacid dehalogenase from Xanthobacter autotrophicus GJ10 complexed with the substrate-analogue formate.
J.Biol.Chem., 272, 1997
6E7U
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BU of 6e7u by Molmil
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-31
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Regan, M.C, Furukawa, H.
Deposit date:2018-07-27
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural elements of a pH-sensitive inhibitor binding site in NMDA receptors
Nat Commun, 10, 2019
7MX8
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BU of 7mx8 by Molmil
Crystal Structure of HPV L1-directed E7M03 Fab
Descriptor: E7M03 Fab Heavy Chain, E7M03 Fab Light Chain
Authors:Singh, S, Pancera, M.
Deposit date:2021-05-18
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Characterisation of Immune Responses to HPV Vaccination
To Be Published
6E7X
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BU of 6e7x by Molmil
Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-97
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Regan, M.C, Furukawa, H.
Deposit date:2018-07-27
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural elements of a pH-sensitive inhibitor binding site in NMDA receptors
Nat Commun, 10, 2019
7N2H
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BU of 7n2h by Molmil
X-Ray structure of a sequence variant of a repeat segment of the yeast prion New1p
Descriptor: prion New1p
Authors:Richards, L.S, Flores, M.D, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R.
Deposit date:2021-05-29
Release date:2022-06-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.102 Å)
Cite:Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
1ATS
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BU of 1ats by Molmil
THREONINE 204 OF THE CHAPERONE PROTEIN HSC70 INFLUENCES THE STRUCTURE OF THE ACTIVE SITE BUT IS NOT ESSENTIAL FOR ATP HYDROLYSIS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 70 KD PROTEIN, MAGNESIUM ION
Authors:O'Brien, M.C, Mckay, D.B.
Deposit date:1993-08-09
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Threonine 204 of the chaperone protein Hsc70 influences the structure of the active site, but is not essential for ATP hydrolysis.
J.Biol.Chem., 268, 1993
7N2Z
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BU of 7n2z by Molmil
Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) complexes in the dual Tris-thiolate Site
Descriptor: CHLORIDE ION, LEAD (II) ION, Pb(II)2-(GRAND CoilSerL16CL23C)3, ...
Authors:Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2021-05-30
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead.
J.Am.Chem.Soc., 143, 2021
7N60
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BU of 7n60 by Molmil
The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Lau, I.C.K, Coleman, T, Bell, S.G, Bruning, J.B.
Deposit date:2021-06-07
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant
To Be Published
7NMD
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BU of 7nmd by Molmil
Human Major Histocompatibility Complex A24 Allele presenting QLPRLFPLL
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLN-LEU-PRO-ARG-LEU-PHE-PRO-LEU-LEU, ...
Authors:Rizkallah, P.J, Sewell, A.K, Cole, D.K.
Deposit date:2021-02-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Human Major Histocompatibility Complex A24 Allele presenting QLPRLFPLL
To Be Published
1AO5
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BU of 1ao5 by Molmil
MOUSE GLANDULAR KALLIKREIN-13 (PRORENIN CONVERTING ENZYME)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLANDULAR KALLIKREIN-13
Authors:Timm, D.E.
Deposit date:1997-07-16
Release date:1997-10-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of the mouse glandular kallikrein-13 (prorenin converting enzyme)
Protein Sci., 6, 1997
7NME
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BU of 7nme by Molmil
Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4C6 Human T-cell Receptor, ...
Authors:Rizkallah, P.J, Sewell, A.K, Cole, D.K, Wall, A.
Deposit date:2021-02-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human MHC Class I, A24 Allele presenting QLPRLFPLL, Complex with 4C6 TCR
To Be Published
7NMG
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BU of 7nmg by Molmil
Human MHC Class I, A24 Allele presenting LWM, Complex with 4C6 TCR
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diabetes epitope LWMRLLPLL, ...
Authors:Rizkallah, P.J, Sewell, A.K, Cole, D.K, Wall, A.
Deposit date:2021-02-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Human MHC Class I, A24 Allele presenting LWM, Complex with 4C6 TCR
To Be Published

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