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4BV5
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BU of 4bv5 by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 4-(aminomethyl)-N-(benzenesulfonyl)cyclohexanecarboxamide, APOLIPOPROTEIN(A)
Authors:Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
3OO3
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BU of 3oo3 by Molmil
Crystal Structure of the Orf6* (CYP165D3) Monooxygenase Involved in Teicoplanin Biosynthesis
Descriptor: Oxy protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, Z, Nair, S.K.
Deposit date:2010-08-30
Release date:2011-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a phenol-coupling P450 monooxygenase involved in teicoplanin biosynthesis.
Proteins, 79, 2011
4C3U
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BU of 4c3u by Molmil
Extensive counter-ion interactions with subtilisin in aqueous medium, Cs derivative
Descriptor: CALCIUM ION, CESIUM ION, CHLORIDE ION, ...
Authors:Cianci, M, Negroni, J, Helliwell, J.R, Halling, P.J.
Deposit date:2013-08-27
Release date:2014-08-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Extensive Counter-Ion Interactions Seen at the Surface of Subtilisin in an Aqueous Medium
Rsc Adv, 2014
7FHT
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BU of 7fht by Molmil
Crystal structure of DYRK1A in complex with RD0448
Descriptor: (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Kikuchi, M, Sumida, Y, Hosoya, T, Kii, I, Umehara, T.
Deposit date:2021-07-30
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A.
Eur.J.Med.Chem., 227, 2022
3OR0
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BU of 3or0 by Molmil
Semi-synthetic ribonuclease S: cyanylated homocysteine at position 13
Descriptor: Ribonuclease pancreatic
Authors:Fafarman, A.T, Boxer, S.G.
Deposit date:2010-09-05
Release date:2010-10-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nitrile bonds as infrared probes of electrostatics in ribonuclease S.
J.Phys.Chem.B, 114, 2010
3OJ1
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BU of 3oj1 by Molmil
Structure of the H55D mutant of dehaloperoxidase-hemoglobin A from Amphitrite ornata
Descriptor: Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Zhao, J, De Serrano, V.S, Franzen, S.
Deposit date:2010-08-20
Release date:2011-08-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Effect of the H55D mutation on the kinetics and structure of dehaloperoxidase-hemoglobin A
To be Published
3OJP
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BU of 3ojp by Molmil
D52N Mutant of Hen Egg White Lysozyme (HEWL)
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:O'Meara, F, Bradley, J, O'Rourke, P.E, Webb, H, Tynan-Connolly, B.M, Nielsen, J.E.
Deposit date:2010-08-23
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:D52N Mutant of Hen Egg White Lysozyme (HEWL)
TO BE PUBLISHED
6FBL
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BU of 6fbl by Molmil
NMR Solution Structure of MINA-1(254-334)
Descriptor: MINA-1
Authors:Michel, E, Allain, F.
Deposit date:2017-12-19
Release date:2019-01-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:MINA-1 and WAGO-4 are part of regulatory network coordinating germ cell death and RNAi in C. elegans.
Cell Death Differ., 26, 2019
7FHS
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BU of 7fhs by Molmil
Crystal structure of DYRK1A in complex with RD0392
Descriptor: (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL
Authors:Kikuchi, M, Sumida, T, Hosoya, T, Kii, I, Umehara, T.
Deposit date:2021-07-30
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A.
Eur.J.Med.Chem., 227, 2022
3OV1
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BU of 3ov1 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a pYXN-Derived Tripeptide
Descriptor: FORMIC ACID, GLYCEROL, Growth factor receptor-bound protein 2, ...
Authors:Clements, J.H, Martin, S.F.
Deposit date:2010-09-15
Release date:2011-11-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.
J.Am.Chem.Soc., 133, 2011
6EST
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BU of 6est by Molmil
INTERACTION OF THE PEPTIDE CF3-LEU-ALA-NH-C6H4-CF3(TFLA) WITH PORCINE PANCREATIC ELASTASE. X-RAY STUDIES AT 1.8 ANGSTROMS
Descriptor: CALCIUM ION, DIMETHYLFORMAMIDE, PORCINE PANCREATIC ELASTASE, ...
Authors:Prange, T, Li De Lasierra, I.
Deposit date:1990-06-15
Release date:1991-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction of the peptide CF3-Leu-Ala-NH-C6H4-CF3 (TFLA) with porcine pancreatic elastase. X-ray studies at 1.8 A.
J.Mol.Recog., 3, 1990
7FCW
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BU of 7fcw by Molmil
X-ray structure of H2O-solvent lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, NICKEL (II) ION
Authors:Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S.
Deposit date:2021-07-15
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
7FCU
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BU of 7fcu by Molmil
X-ray structure of D2O-solvent lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, NICKEL (II) ION
Authors:Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S.
Deposit date:2021-07-15
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
3OO4
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BU of 3oo4 by Molmil
R-state human hemoglobin: nitriheme modified at alpha
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
Authors:Yi, J, Thormas, L.M, Richter-Addo, G.B.
Deposit date:2010-08-30
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
6FOI
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BU of 6foi by Molmil
Human Cys57/156Ala superoxide dismutase-1 (SOD1), as isolated.
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Wright, G.S.A, Sala, F.A, Antonyuk, S.V, Garratt, R.C, Hasnain, S.S.
Deposit date:2018-02-07
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular recognition and maturation of SOD1 by its evolutionarily destabilised cognate chaperone hCCS.
Plos Biol., 17, 2019
3OO1
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BU of 3oo1 by Molmil
Structure of E. Coli CheY mutant A113P in the absence of Sulfate
Descriptor: Chemotaxis protein CheY, MAGNESIUM ION
Authors:Immormino, R.M, Bourret, R.B.
Deposit date:2010-08-30
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring the effect of an allosteric site on conformational coupling in CheY
To be Published
3OIA
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BU of 3oia by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
Descriptor: Camphor 5-monooxygenase, N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-08-18
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C8GluEtg-Bio
To be Published
7EOD
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BU of 7eod by Molmil
MITF HLHLZ Delta AKE
Descriptor: GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor
Authors:Li, P, Liu, Z, Fang, P, Wang, J.
Deposit date:2021-04-22
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
4C9P
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BU of 4c9p by Molmil
Structure of camphor bound T260A mutant of CYP101D1
Descriptor: CAMPHOR, CYTOCHROME P450, GLYCEROL, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4CAA
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BU of 4caa by Molmil
CLEAVED ANTICHYMOTRYPSIN T345R
Descriptor: ANTICHYMOTRYPSIN
Authors:Lukacs, C.M, Christianson, D.W.
Deposit date:1997-08-14
Release date:1998-02-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Engineering an anion-binding cavity in antichymotrypsin modulates the "spring-loaded" serpin-protease interaction.
Biochemistry, 37, 1998
3OL5
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BU of 3ol5 by Molmil
Crystal Structure of Cytochrome P450cam crystallized with a tethered substrate analog 3OH-AdaC1-C8-Dans
Descriptor: (1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-08-25
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized with a tethered substrate analog 3OH-AdaC1-C8-Dans
To be Published
4C7Q
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BU of 4c7q by Molmil
Solution structure of the Nt. GR-RBP1 RRM domain
Descriptor: RNA-BINDING GLYCINE-RICH PROTEIN
Authors:Kahn, F, Boelens, R, Saqlan, S.M.S, van Ingen, H.
Deposit date:2013-09-24
Release date:2013-10-02
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural Basis of Nucleic Acid Binding by Nicotiana Tabacum Glycine-Rich RNA Binding Protein: Implications for its RNA Chaperone Function
Nucleic Acids Res., 42, 2014
3OTF
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BU of 3otf by Molmil
Structural basis for the cAMP-dependent gating in human HCN4 channel
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
Authors:Xu, X, Vysotskaya, Z.V, Liu, Q, Zhou, L.
Deposit date:2010-09-11
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the cAMP-dependent gating in the human HCN4 channel.
J.Biol.Chem., 285, 2010
6FQF
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BU of 6fqf by Molmil
THE X-RAY STRUCTURE OF FERRIC-BETA4 HUMAN HEMOGLOBIN
Descriptor: Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mazzarella, L, Merlino, A, Balasco, N, Balsamo, A, Vergara, A.
Deposit date:2018-02-14
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the ferric homotetrameric beta4human hemoglobin.
Biophys. Chem., 240, 2018
3OTS
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BU of 3ots by Molmil
MDR769 HIV-1 protease complexed with MA/CA hepta-peptide
Descriptor: MA/CA substrate peptide, Multi-drug resistant HIV-1 protease
Authors:Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C.
Deposit date:2010-09-13
Release date:2011-03-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease.
Protein J., 30, 2011

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