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6HBI
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BU of 6hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, DEOXY FORM
Descriptor: HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Royer Junior, W.E.
Deposit date:1998-06-25
Release date:1998-11-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
7HBI
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BU of 7hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, CO-LIGANDED FORM
Descriptor: CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Royer Junior, W.E.
Deposit date:1998-06-25
Release date:1998-11-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
7Z6U
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BU of 7z6u by Molmil
Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
Descriptor: 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2022-03-14
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
7UQA
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BU of 7uqa by Molmil
Crystal structure of the small Ultra-Red Fluorescent Protein (smURFP)
Descriptor: CHLORIDE ION, SODIUM ION, small Ultra-Red Fluorescent Protein (smURFP)
Authors:Maiti, A, Buffalo, C.Z, Saurabh, S, Montecinos-Franjola, F, Hachey, J.S, Conlon, W.J, Tran, G.N, Drobizhev, M, Moerner, W.E, Ghosh, P, Matsuo, H, Tsien, R.Y, Lin, J.Y, Rodriguez, E.A.
Deposit date:2022-04-19
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structural and photophysical characterization of the small ultra-red fluorescent protein.
Nat Commun, 14, 2023
5HBI
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BU of 5hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, CO-LIGANDED FORM
Descriptor: CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Royer Junior, W.E.
Deposit date:1998-06-24
Release date:1998-11-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
6HBW
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BU of 6hbw by Molmil
Crystal structure of deoxy-human hemoglobin beta6 glu->trp
Descriptor: PROTEIN (HEMOGLOBIN ALPHA 1), PROTEIN (HEMOGLOBIN BETA), PROTOPORPHYRIN IX CONTAINING FE
Authors:Harrington, D.J, Adachi, K, Royer Jr, W.E.
Deposit date:1998-09-10
Release date:1998-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of deoxy-human hemoglobin beta6 Glu --> Trp. Implications for the structure and formation of the sickle cell fiber.
J.Biol.Chem., 273, 1998
4SDH
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BU of 4sdh by Molmil
HIGH RESOLUTION CRYSTALLOGRAPHIC ANALYSIS OF A COOPERATIVE DIMERIC HEMOGLOBIN
Descriptor: HEMOGLOBIN I (DEOXY), PROTOPORPHYRIN IX CONTAINING FE
Authors:Royerjunior, W.E.
Deposit date:1993-06-23
Release date:1993-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution crystallographic analysis of a co-operative dimeric hemoglobin.
J.Mol.Biol., 235, 1994
8AFR
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BU of 8afr by Molmil
Pim1 in complex with 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid and Pimtide
Descriptor: 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2022-07-18
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
1BD2
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BU of 1bd2 by Molmil
COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201
Descriptor: BETA-2 MICROGLOBULIN, HLA-A 0201, T CELL RECEPTOR ALPHA, ...
Authors:Ding, Y.-H, Smith, K.J, Garboczi, D.N, Utz, U, Biddison, W.E, Wiley, D.C.
Deposit date:1998-05-12
Release date:1998-08-19
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids.
Immunity, 8, 1998
6V8A
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BU of 6v8a by Molmil
Human CtBP1 (28-375) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION, ...
Authors:Royer, W.E.
Deposit date:2019-12-10
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
6V89
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BU of 6v89 by Molmil
Human CtBP1 (28-375) in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION, ...
Authors:Royer, W.E.
Deposit date:2019-12-10
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
4HBI
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BU of 4hbi by Molmil
SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, DEOXY FORM
Descriptor: HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Royer Junior, W.E.
Deposit date:1998-06-24
Release date:1998-11-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
2VER
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BU of 2ver by Molmil
Structural model for the complex between the Dr adhesins and carcinoembryonic antigen (CEA)
Descriptor: AFIMBRIAL ADHESIN AFA-III, ARCINOEMBRYONIC ANTIGEN-RELATED CELL ADHESION MOLECULE 5, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
Authors:Korotkova, N, Yang, Y, Le Trong, I, Cota, E, Demeler, B, Marchant, J, Thomas, W.E, Stenkamp, R.E, Moseley, S.L, Matthews, S.
Deposit date:2007-10-26
Release date:2008-01-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Binding of Dr Adhesins of Escherichia Coli to Carcinoembryonic Antigen Triggers Receptor Dissociation.
Mol.Microbiol., 67, 2008
1AQV
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BU of 1aqv by Molmil
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH P-BROMOBENZYLGLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine
Authors:Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W.
Deposit date:1997-08-01
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
1AQW
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BU of 1aqw by Molmil
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W.
Deposit date:1997-08-03
Release date:1998-03-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
2Z8A
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BU of 2z8a by Molmil
Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: I25W with CO Bound to HEME and in the Presence of 3 Atoms of XE
Descriptor: CARBON MONOXIDE, Globin-1, PHOSPHATE ION, ...
Authors:Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U.
Deposit date:2007-09-04
Release date:2007-11-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis
Biochemistry, 46, 2007
2ZGA
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BU of 2zga by Molmil
HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (hexagonal space group)
Descriptor: (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, Protease
Authors:Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2008-01-21
Release date:2009-02-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors
J.Mol.Biol., 410, 2011
2Z85
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BU of 2z85 by Molmil
Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F Unliganded
Descriptor: Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U.
Deposit date:2007-09-02
Release date:2007-11-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis
Biochemistry, 46, 2007
1AO7
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BU of 1ao7 by Molmil
COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201
Descriptor: BETA-2 MICROGLOBULIN, ETHYL MERCURY ION, HLA-A 0201, ...
Authors:Garboczi, D.N, Ghosh, P, Utz, U, Fan, Q.R, Biddison, W.E, Wiley, D.C.
Deposit date:1997-07-21
Release date:1997-09-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the complex between human T-cell receptor, viral peptide and HLA-A2.
Nature, 384, 1996
4U6S
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BU of 4u6s by Molmil
CtBP1 in complex with substrate phenylpyruvate
Descriptor: 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ...
Authors:Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
Deposit date:2014-07-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
4U6Q
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BU of 4u6q by Molmil
CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid
Descriptor: (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ...
Authors:Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E.
Deposit date:2014-07-29
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
5KEG
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BU of 5keg by Molmil
Crystal structure of APOBEC3A in complex with a single-stranded DNA
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ...
Authors:Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A.
Deposit date:2016-06-09
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
5JRM
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BU of 5jrm by Molmil
Crystal Structure of a Xylanase at 1.56 Angstroem resolution
Descriptor: Endo-1,4-beta-xylanase, GLYCEROL, SULFATE ION
Authors:Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C.
Deposit date:2016-05-06
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of a Xylanase at 1.56 Angstroem resolution
To Be Published
1HBS
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BU of 1hbs by Molmil
REFINED CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S. I. RESTRAINED LEAST-SQUARES REFINEMENT AT 3.0-ANGSTROMS RESOLUTION
Descriptor: HEMOGLOBIN S (DEOXY) (ALPHA CHAIN), HEMOGLOBIN S (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Padlan, E.A, Love, W.E.
Deposit date:1982-06-02
Release date:1982-07-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Refined crystal structure of deoxyhemoglobin S. I. Restrained least-squares refinement at 3.0-A resolution.
J.Biol.Chem., 260, 1985
3LHB
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BU of 3lhb by Molmil
THE 2.7 ANGSTROM CRYSTAL STRUCTURE OF DEOXYGENATED HEMOGLOBIN FROM THE SEA LAMPREY (PETROMYZON MARINUS)
Descriptor: PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Heaslet, H.A, Royer Jr, W.E.
Deposit date:1999-01-12
Release date:1999-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The 2.7 A crystal structure of deoxygenated hemoglobin from the sea lamprey (Petromyzon marinus): structural basis for a lowered oxygen affinity and Bohr effect.
Structure Fold.Des., 7, 1999

217705

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