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1GBV
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BU of 1gbv by Molmil
(ALPHA-OXY, BETA-(C112G)DEOXY) T-STATE HUMAN HEMOGLOBIN
Descriptor: HEMOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Vasquez, G.B, Ji, X, Pechik, I, Fronticelli, C, Gilliland, G.L.
Deposit date:1995-12-20
Release date:1997-01-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cysteines beta93 and beta112 as probes of conformational and functional events at the human hemoglobin subunit interfaces.
Biophys.J., 76, 1999
2E0J
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BU of 2e0j by Molmil
Mutant Human Ribonuclease 1 (R31L, R32L)
Descriptor: Ribonuclease
Authors:Yamada, H, Tamada, T, Kosaka, M, Kuroki, R.
Deposit date:2006-10-10
Release date:2007-08-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:'Crystal lattice engineering,' an approach to engineer protein crystal contacts by creating intermolecular symmetry: crystallization and structure determination of a mutant human RNase 1 with a hydrophobic interface of leucines
Protein Sci., 16, 2007
3JVA
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BU of 3jva by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583
Descriptor: Dipeptide Epimerase, GLYCEROL, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Sakai, A, Imker, H, Gerlt, J.A, Almo, S.C.
Deposit date:2009-09-16
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
5BY5
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BU of 5by5 by Molmil
High resolution structure of the ectoine synthase from the cold-adapted marine bacterium Sphingopyxis alaskensis
Descriptor: L-ectoine synthase, S-1,2-PROPANEDIOL
Authors:Widderich, N, Kobus, S, Hoeppner, A, Bremer, E, Smits, S.H.J.
Deposit date:2015-06-10
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Biochemistry and Crystal Structure of Ectoine Synthase: A Metal-Containing Member of the Cupin Superfamily.
Plos One, 11, 2016
7S8Z
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BU of 7s8z by Molmil
Room-temperature apo Human Hsp90a-NTD
Descriptor: Heat shock protein HSP 90-alpha
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S9G
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BU of 7s9g by Molmil
Room-temperature Human Hsp90a-NTD bound to BIIB021
Descriptor: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Stachowski, T.R, Vanarotti, M, Fischer, M.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S9F
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BU of 7s9f by Molmil
Cryogenic Human Hsp90a-NTD bound to BIIB021
Descriptor: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S95
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BU of 7s95 by Molmil
Room-temperature Human Hsp90a-NTD bound to adenine
Descriptor: ADENINE, Heat shock protein HSP 90-alpha
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S9I
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BU of 7s9i by Molmil
Room-temperature Human Hsp90a-NTD bound to EC144
Descriptor: 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha
Authors:Stachowski, T.R, Vanarotti, M, Fischer, M.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S9H
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BU of 7s9h by Molmil
Cryogenic Human Hsp90a-NTD bound to EC144
Descriptor: 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Stachowski, T.R, Vanarotti, M, Seetharaman, J, Fischer, M.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S98
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BU of 7s98 by Molmil
Cryogenic Human Hsp90a-NTD bound to N6M
Descriptor: Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S8Y
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BU of 7s8y by Molmil
Cryogenic apo Human Hsp90a-NTD
Descriptor: Heat shock protein HSP 90-alpha
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S90
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BU of 7s90 by Molmil
Cryogenic Human Hsp90a-NTD bound to adenine
Descriptor: ADENINE, Heat shock protein HSP 90-alpha
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
7S99
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BU of 7s99 by Molmil
Room-temperature Human Hsp90a-NTD bound to N6M
Descriptor: Heat shock protein HSP 90-alpha, N-METHYL-9H-PURIN-6-AMINE
Authors:Stachowski, T.R, Vanarotti, M, Lopez, K, Fischer, M.
Deposit date:2021-09-20
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew.Chem.Int.Ed.Engl., 61, 2022
3SQ5
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BU of 3sq5 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N Mutant
Descriptor: Tyrosyl-DNA phosphodiesterase 1
Authors:Gajewski, S, White, S.W.
Deposit date:2011-07-04
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
8TTM
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BU of 8ttm by Molmil
IgG1 Fc Heterodimer combYSelect1
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 gamma-1 heavy chain
Authors:Azzam, T, Du, J.J, Sundberg, E.J.
Deposit date:2023-08-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Combinatorially restricted computational design of protein-protein interfaces to produce IgG heterodimers.
Sci Adv, 10, 2024
8TUD
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BU of 8tud by Molmil
IgG1 Fc Heterodimer combYSelect2
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 gamma-1 heavy chain
Authors:Azzam, T, Du, J.J, Sundberg, E.J.
Deposit date:2023-08-16
Release date:2024-06-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Combinatorially restricted computational design of protein-protein interfaces to produce IgG heterodimers.
Sci Adv, 10, 2024
3SQ7
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BU of 3sq7 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N_Glu Mutant
Descriptor: SULFATE ION, Tyrosyl-DNA phosphodiesterase 1
Authors:Gajewski, S, White, S.W.
Deposit date:2011-07-05
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
2R8X
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BU of 2r8x by Molmil
Crystal structure of YrbI phosphatase from Escherichia coli
Descriptor: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION
Authors:Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T.
Deposit date:2007-09-11
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
4WYU
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BU of 4wyu by Molmil
Crystal Structure of Scribble PDZ34 tandem in complex with its target peptide
Descriptor: IODIDE ION, Protein scribble homolog, peptide SER-TRP-PHE-GLN-THR-ASP-LEU
Authors:Ren, J.Q, Pei, H.H, Feng, W.
Deposit date:2014-11-18
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Interdomain interface-mediated target recognition by the Scribble PDZ34 supramodule.
Biochem.J., 468, 2015
3SQ8
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BU of 3sq8 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase 1 H432R Mutant (SCAN1 Mutant)
Descriptor: Tyrosyl-DNA phosphodiesterase 1
Authors:Gajewski, S, White, S.W.
Deposit date:2011-07-05
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
4WNI
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BU of 4wni by Molmil
Crystal structure of the T229K mutant of human GAPDH at 2.3 angstroems resolution
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Garcin, E.D, White, M.R.
Deposit date:2014-10-12
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Dimer Interface Mutation in Glyceraldehyde-3-Phosphate Dehydrogenase Regulates Its Binding to AU-rich RNA.
J.Biol.Chem., 290, 2015
4WNC
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BU of 4wnc by Molmil
Crystal structure of human wild-type GAPDH at 1.99 angstroms resolution
Descriptor: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Garcin, E.D.
Deposit date:2014-10-11
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Dimer Interface Mutation in Glyceraldehyde-3-Phosphate Dehydrogenase Regulates Its Binding to AU-rich RNA.
J.Biol.Chem., 290, 2015
4WYT
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BU of 4wyt by Molmil
Crystal Structure of Scribble PDZ34 tandem at 2.6 Angstroms
Descriptor: CHLORIDE ION, Protein scribble homolog
Authors:Ren, J.Q, Feng, W.
Deposit date:2014-11-18
Release date:2015-10-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Interdomain interface-mediated target recognition by the Scribble PDZ34 supramodule.
Biochem.J., 468, 2015
5LG2
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BU of 5lg2 by Molmil
Horse L type ferritin iron loaded for 60 minutes
Descriptor: CADMIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2016-07-05
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Chemistry at the protein-mineral interface in L-ferritin assists the assembly of a functional ( mu (3)-oxo)Tris[( mu (2)-peroxo)] triiron(III) cluster.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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