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8R18
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BU of 8r18 by Molmil
Pim1 in complex with (E)-4-(4-hydroxystyryl)benzoic acid and Pimtide
Descriptor: (E)-4-(4-hydroxystyryl)benzoic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-01
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Pim1 in complex with (E)-4-(4-hydroxystyryl)benzoic acid and Pimtide
To Be Published
8R1T
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BU of 8r1t by Molmil
Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide
Descriptor: 4-(4-aminophenethyl)benzoic acid, GLYCEROL, Pimtide, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2023-11-02
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pim1 in complex with 4-(4-aminophenethyl)benzoic acid and Pimtide
To Be Published
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
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
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
4QB4
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BU of 4qb4 by Molmil
Crystal Structure of Staphylococcal Nuclease mutant V23L/L25V/V66L
Descriptor: Thermonuclease
Authors:Lor, P, Janowska, K, Sakon, J, Stites, W.E.
Deposit date:2014-05-06
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Staphylococcal Nuclease mutant V23L/L25V/V66L
To be Published
1AQX
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BU of 1aqx by Molmil
GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX
Descriptor: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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 (2 Å)
Cite:Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
1CDL
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BU of 1cdl by Molmil
TARGET ENZYME RECOGNITION BY CALMODULIN: 2.4 ANGSTROMS STRUCTURE OF A CALMODULIN-PEPTIDE COMPLEX
Descriptor: CALCIUM ION, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II ALPHA CHAIN, CALMODULIN
Authors:Meador, W.E, Quiocho, F.A.
Deposit date:1993-10-08
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Target enzyme recognition by calmodulin: 2.4 A structure of a calmodulin-peptide complex.
Science, 257, 1992
4YDG
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BU of 4ydg by Molmil
Crystal structure of compound 10 in complex with HTLV-1 Protease
Descriptor: HTLV-1 protease, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), SULFATE ION
Authors:Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E.
Deposit date:2015-02-22
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58, 2015
4YDF
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BU of 4ydf by Molmil
Crystal structure of compound 9 in complex with HTLV-1 Protease
Descriptor: HTLV-1 Protease, N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide, SULFATE ION
Authors:Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E.
Deposit date:2015-02-22
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors.
J.Med.Chem., 58, 2015
4ZF8
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BU of 4zf8 by Molmil
Cytochrome P450 pentamutant from BM3 with bound Metyrapone
Descriptor: Bifunctional P-450/NADPH-P450 reductase, METYRAPONE, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.766 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4ZFB
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BU of 4zfb by Molmil
Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid
Descriptor: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4ZFA
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BU of 4zfa by Molmil
Cytochrome P450 wild type from BM3 with bound PEG
Descriptor: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.765 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
4ZF6
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BU of 4zf6 by Molmil
Cytochrome P450 pentamutant from BM3 with bound PEG
Descriptor: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
Authors:Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
Deposit date:2015-04-21
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
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
2AV0
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BU of 2av0 by Molmil
F97L with CO bound
Descriptor: CARBON MONOXIDE, 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 (1.5 Å)
Cite:Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin
Biochemistry, 44, 2005
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
5JRN
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BU of 5jrn by Molmil
Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution
Descriptor: Endo-1,4-beta-xylanase, GLYCEROL, methyl beta-D-xylopyranoside
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 (2.841 Å)
Cite:Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution
To Be Published
5LAC
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BU of 5lac by Molmil
SeMet Labeled Derivative of Cavally Virus 3CL Protease
Descriptor: 3Cl Protease, GLYCEROL
Authors:Kanitz, M, Heine, A, Diederich, W.E.
Deposit date:2016-06-14
Release date:2017-07-12
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Virology, 533, 2019
5LAK
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BU of 5lak by Molmil
Ligand-bound structure of Cavally Virus 3CL Protease
Descriptor: 3Cl Protease, BEZ-TYR-TYR-ASN-ECC Peptide inhibitor, PENTAETHYLENE GLYCOL, ...
Authors:Kanitz, M, Heine, A, Diederich, W.E.
Deposit date:2016-06-14
Release date:2017-07-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus.
Virology, 533, 2019
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
4HRR
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BU of 4hrr by Molmil
Scapharca tetrameric hemoglobin, CO-state
Descriptor: CARBON MONOXIDE, Globin-2 A chain, Hemoglobin B chain, ...
Authors:Royer, W.E.
Deposit date:2012-10-28
Release date:2013-03-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Tertiary and Quaternary Allostery in Tetrameric Hemoglobin from Scapharca inaequivalvis.
Biochemistry, 52, 2013
7KWM
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BU of 7kwm by Molmil
CtBP1 (28-375) L182F/V185T - AMP
Descriptor: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION
Authors:Royer, W.E, Del Campo, M.
Deposit date:2020-12-01
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021

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