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6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Bonnette, W.G.
Deposit date:2019-06-06
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
8T7G
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BU of 8t7g by Molmil
Structure of the CK variant of Fab F1 (FabC-F1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CK variant of Fab F1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7I
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BU of 8t7i by Molmil
Structure of the S1CE variant of Fab F1 (FabS1CE-F1)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, S1CE variant of Fab F1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7F
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BU of 8t7f by Molmil
Structure of the S1 variant of Fab F1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S1 variant of Fab F1 heavy chain, S1 variant of Fab F1 light chain, ...
Authors:Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
Deposit date:2023-06-20
Release date:2023-11-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
4JBV
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BU of 4jbv by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1268
Descriptor: 1-[(1-methylpiperidin-4-yl)methyl]-3-[6-(2-methylpropoxy)naphthalen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2013-02-20
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of potent and selective Plasmodium falciparum calcium-dependent protein kinase 4 (PfCDPK4) inhibitors that block the transmission of malaria to mosquitoes.
Eur.J.Med.Chem., 74, 2014
6IN5
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BU of 6in5 by Molmil
Crystal structure of H5N2 hemagglutinin G228S Q226L mutant with 3SLN from A/chicken/Taiwan/0502/2012
Descriptor: Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
Authors:Lin, T.H, Lee, M.S, Liu, J.S.
Deposit date:2018-10-24
Release date:2019-10-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.916 Å)
Cite:crystal structure of H5 hemagglutinin from A/chicken/Taiwan/0502/2012
To Be Published
1A45
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BU of 1a45 by Molmil
GAMMAF CRYSTALLIN FROM BOVINE LENS
Descriptor: GAMMAF CRYSTALLIN
Authors:Norledge, B.V, Hay, R, Bateman, O.A, Slingsby, C, White, H.E, Moss, D.S, Lindley, P.F, Driessen, H.P.C.
Deposit date:1998-02-10
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Towards a molecular understanding of phase separation in the lens: a comparison of the X-ray structures of two high Tc gamma-crystallins, gammaE and gammaF, with two low Tc gamma-crystallins, gammaB and gammaD.
Exp.Eye Res., 65, 1997
5OSQ
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BU of 5osq by Molmil
ZP-N domain of mammalian sperm receptor ZP3 (crystal form II, processed in P21221)
Descriptor: CALCIUM ION, Maltose-binding periplasmic protein,Zona pellucida sperm-binding protein 3, TRIETHYLENE GLYCOL, ...
Authors:Jovine, L, Monne, M.
Deposit date:2017-08-18
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the ZP-N domain of ZP3 reveals the core fold of animal egg coats
Nature, 456, 2008
8AMS
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BU of 8ams by Molmil
Complex of human TRIM2 RING domain, UBCH5C, and Ubiquitin
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, Polyubiquitin-C, ...
Authors:Perez-Borrajero, C, Kotova, I, Murciano, B, Hennig, J.
Deposit date:2022-08-04
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and biophysical studies of TRIM2 and TRIM3
To Be Published
1TSI
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BU of 1tsi by Molmil
STRUCTURE OF THE COMPLEX BETWEEN TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE AND N-HYDROXY-4-PHOSPHONO-BUTANAMIDE: BINDING AT THE ACTIVE SITE DESPITE AN "OPEN" FLEXIBLE LOOP
Descriptor: N-HYDROXY-4-PHOSPHONO-BUTANAMIDE, TRIOSEPHOSPHATE ISOMERASE
Authors:Verlinde, C.L.M.J.
Deposit date:1992-11-19
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure of the complex between trypanosomal triosephosphate isomerase and N-hydroxy-4-phosphono-butanamide: binding at the active site despite an "open" flexible loop conformation.
Protein Sci., 1, 1992
1CJ2
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BU of 1cj2 by Molmil
MUTANT GLN34ARG OF PARA-HYDROXYBENZOATE HYDROXYLASE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
Authors:Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1999-04-21
Release date:1999-04-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
1CJ4
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BU of 1cj4 by Molmil
MUTANT Q34T OF PARA-HYDROXYBENZOATE HYDROXYLASE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
Authors:Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1999-04-21
Release date:1999-04-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
1CJ3
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BU of 1cj3 by Molmil
MUTANT TYR38GLU OF PARA-HYDROXYBENZOATE HYDROXYLASE
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE)
Authors:Eppink, M.H.M, Overkamp, K.M, Schreuder, H.A, Van Berkel, W.J.H.
Deposit date:1999-04-21
Release date:1999-04-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Switch of coenzyme specificity of p-hydroxybenzoate hydroxylase.
J.Mol.Biol., 292, 1999
1NMA
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BU of 1nma by Molmil
N9 NEURAMINIDASE COMPLEXES WITH ANTIBODIES NC41 AND NC10: EMPIRICAL FREE-ENERGY CALCULATIONS CAPTURE SPECIFICITY TRENDS OBSERVED WITH MUTANT BINDING DATA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB NC10, N9 NEURAMINIDASE, ...
Authors:Tulip, W.R, Varghese, J.N, Colman, P.M.
Deposit date:1994-05-06
Release date:1995-09-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:N9 neuraminidase complexes with antibodies NC41 and NC10: empirical free energy calculations capture specificity trends observed with mutant binding data.
Biochemistry, 33, 1994
3BCE
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BU of 3bce by Molmil
Crystal structure of the ErbB4 kinase
Descriptor: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Receptor tyrosine-protein kinase erbB-4, ...
Authors:Qiu, C.
Deposit date:2007-11-12
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of Activation and Inhibition of the HER4/ErbB4 Kinase.
Structure, 16, 2008
3BJE
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BU of 3bje by Molmil
Crystal structure of Trypanosoma brucei nucleoside phosphorylase shows uridine phosphorylase activity
Descriptor: 1-O-phosphono-alpha-D-ribofuranose, CALCIUM ION, Nucleoside phosphorylase, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-12-03
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:The Crystal Structure and Activity of a Putative Trypanosomal Nucleoside Phosphorylase Reveal It to be a Homodimeric Uridine Phosphorylase
J.Mol.Biol., 396, 2010
3BBW
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BU of 3bbw by Molmil
crystal structure of the ErbB4 kinase in its inactive conformation
Descriptor: Receptor tyrosine-protein kinase erbB-4
Authors:Qiu, C.
Deposit date:2007-11-11
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4 Å)
Cite:Mechanism of Activation and Inhibition of the HER4/ErbB4 Kinase.
Structure, 16, 2008
3BBT
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BU of 3bbt by Molmil
crystal structure of the ErbB4 kinase in complex with lapatinib
Descriptor: N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, Receptor tyrosine-protein kinase erbB-4
Authors:Qiu, C.
Deposit date:2007-11-11
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of Activation and Inhibition of the HER4/ErbB4 Kinase.
Structure, 16, 2008
8HGX
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BU of 8hgx by Molmil
NMR solution structure of subunit epsilon of the Acinetobacter baumannii F-ATP synthase
Descriptor: ATP synthase epsilon chain
Authors:Shin, J, Grueber, G.
Deposit date:2022-11-15
Release date:2023-11-22
Last modified:2024-06-12
Method:SOLUTION NMR
Cite:Atomic insights of an up and down conformation of the Acinetobacter baumannii F 1 -ATPase subunit epsilon and deciphering the residues critical for ATP hydrolysis inhibition and ATP synthesis.
Faseb J., 37, 2023
6UFX
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BU of 6ufx by Molmil
WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13)
Descriptor: N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5
Authors:Rietz, T.A, Fesik, S.W, Zhao, B.
Deposit date:2019-09-25
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
6UCS
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BU of 6ucs by Molmil
Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core
Descriptor: 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium, WD repeat-containing protein 5
Authors:Zhao, B.
Deposit date:2019-09-17
Release date:2020-01-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.
J.Med.Chem., 63, 2020
6USS
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BU of 6uss by Molmil
Catalytic S88C mutant of gut microbial sulfatase from Bacteroides fragilis CAG:558
Descriptor: CALCIUM ION, Sulfatase
Authors:Ervin, S.M, Redinbo, M.R.
Deposit date:2019-10-28
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into Endobiotic Reactivation by Human Gut Microbiome-Encoded Sulfatases.
Biochemistry, 59, 2020
6UST
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BU of 6ust by Molmil
Gut microbial sulfatase from Hungatella hathewayi
Descriptor: CALCIUM ION, N-acetylgalactosamine 6-sulfate sulfatase
Authors:Ervin, S.M, Redinbo, M.R.
Deposit date:2019-10-28
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Insights into Endobiotic Reactivation by Human Gut Microbiome-Encoded Sulfatases.
Biochemistry, 59, 2020
6V7O
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BU of 6v7o by Molmil
Structural Elucidation of Peptide Binding to KLHL-12, a Substrate Specific Adapter Protein in a Cul3-Ring E3 Ligase Complex
Descriptor: Dvl3-peptide, Kelch-like protein 12
Authors:Zhao, B.
Deposit date:2019-12-09
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Elucidation of Peptide Binding to KLHL-12, a Substrate Specific Adapter Protein in a Cul3-Ring E3 Ligase Complex.
Biochemistry, 59, 2020
6VPG
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BU of 6vpg by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 in complex with AMP-PNP
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020

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PDB entries from 2024-08-07

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