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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:2024-05-22
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
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
2LHB
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BU of 2lhb by Molmil
REFINEMENT OF A MOLECULAR MODEL FOR LAMPREY HEMOGLOBIN FROM PETROMYZON MARINUS
Descriptor: CYANIDE ION, HEMOGLOBIN V (CYANO MET), PROTOPORPHYRIN IX CONTAINING FE
Authors:Honzatko, R.B, Hendrickson, W.A, Love, W.E.
Deposit date:1985-08-16
Release date:1986-01-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refinement of a molecular model for lamprey hemoglobin from Petromyzon marinus.
J.Mol.Biol., 184, 1985
7AKK
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BU of 7akk by Molmil
Structure of a complement factor-receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ...
Authors:Fernandez, F.J, Santos-Lopez, J, Martinez-Barricarte, R, Querol-Garcia, J, Navas-Yuste, S, Savko, M, Shepard, W.E, Rodriguez de Cordoba, S, Vega, M.C.
Deposit date:2020-10-01
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.395 Å)
Cite:The crystal structure of iC3b-CR3 alpha I reveals a modular recognition of the main opsonin iC3b by the CR3 integrin receptor
Nat Commun, 13, 2022
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:2024-05-22
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
1HBI
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BU of 1hbi by Molmil
CRYSTAL STRUCTURE OF OXYGENATED SCAPHARCA DIMERIC HEMOGLOBIN AT 1.7 ANGSTROMS RESOLUTION
Descriptor: HEMOGLOBIN (OXY), OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Royer Junior, W.E, Condon, P.J.
Deposit date:1994-06-22
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of oxygenated Scapharca dimeric hemoglobin at 1.7-A resolution.
J.Biol.Chem., 269, 1994
2AV3
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BU of 2av3 by Molmil
F97L- no ligand
Descriptor: Globin I, PROTOPORPHYRIN IX CONTAINING FE
Authors:Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E.
Deposit date:2005-08-29
Release date:2006-03-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin
Biochemistry, 44, 2005
1QSE
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BU of 1qse by Molmil
STRUCTURE OF HUMAN A6-TCR BOUND TO HLA-A2 COMPLEXED WITH ALTERED HTLV-1 TAX PEPTIDE V7R
Descriptor: PROTEIN (MHC class I HLA-A), PROTEIN (beta-2 microglobulin), PROTEIN (human T-Cell receptor), ...
Authors:Ding, Y.H, Baker, B.M, Garboczi, D.N, Biddison, W.E, Wiley, D.C.
Deposit date:1999-06-21
Release date:1999-12-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Four A6-TCR/peptide/HLA-A2 structures that generate very different T cell signals are nearly identical.
Immunity, 11, 1999
1QSF
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BU of 1qsf by Molmil
STRUCTURE OF A6-TCR BOUND TO HLA-A2 COMPLEXED WITH ALTERED HTLV-1 TAX PEPTIDE Y8A
Descriptor: BETA-2 MICROGLOBULIN, HUMAN T-CELL RECEPTOR, MHC CLASS I HLA-A, ...
Authors:Ding, Y.H, Baker, B.M, Garboczi, D.N, Biddison, W.E, Wiley, D.C.
Deposit date:1999-06-21
Release date:1999-12-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Four A6-TCR/peptide/HLA-A2 structures that generate very different T cell signals are nearly identical.
Immunity, 11, 1999
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
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
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
5FNU
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BU of 5fnu by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2015-11-16
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5FNR
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BU of 5fnr by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2015-11-16
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
2HBS
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BU of 2hbs by Molmil
THE HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S
Descriptor: HEMOGLOBIN S (DEOXY), ALPHA CHAIN, BETA CHAIN, ...
Authors:Harrington, D.J, Adachi, K, Royer Junior, W.E.
Deposit date:1997-05-06
Release date:1997-07-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The high resolution crystal structure of deoxyhemoglobin S.
J.Mol.Biol., 272, 1997
2KYA
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BU of 2kya by Molmil
Solution structure of the leader sequence of the patellamide precursor peptide, PatE1-34
Descriptor: Patellamide protein
Authors:Houssen, W.E, Wright, S.H, Kalverda, A.P, Thompson, G.S, Kelly, S.M, Jaspars, M.
Deposit date:2010-05-21
Release date:2010-09-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of the Leader Sequence of the Patellamide Precursor Peptide, PatE(1-34).
Chembiochem, 11, 2010
2AUR
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BU of 2aur by Molmil
F97V (no ligand bound)
Descriptor: Globin I, PROTOPORPHYRIN IX CONTAINING FE
Authors:Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E.
Deposit date:2005-08-28
Release date:2006-03-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin
Biochemistry, 44, 2005
4OW3
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BU of 4ow3 by Molmil
Thermolysin structure determined by free-electron laser
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Hattne, J, Echols, N, Tran, R, Kern, J, Gildea, R.J, Brewster, A.S, Alonso-Mori, R, Glockner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, White, W.E, Schafer, D.W, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Glatzel, P, Zwart, P.H, Grosse-Kunstleve, R.W, Bogan, M.J, Messerschmidt, M, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Yano, J, Bergmann, U, Yachandra, V.K, Adams, P.D, Sauter, N.K.
Deposit date:2014-01-30
Release date:2014-03-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers.
Nat.Methods, 11, 2014
5T25
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BU of 5t25 by Molmil
Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, SODIUM ION
Authors:Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P.
Deposit date:2016-08-23
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
To Be Published
5T26
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BU of 5t26 by Molmil
Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P.
Deposit date:2016-08-23
Release date:2016-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
To Be Published
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
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
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:2024-05-22
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
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

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