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4GMB
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BU of 4gmb by Molmil
Crystal structure of human WD repeat domain 5 with compound MM-402
Descriptor: MM-402, WD repeat-containing protein 5
Authors:Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S.
Deposit date:2012-08-15
Release date:2014-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.781 Å)
Cite:Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
3DPC
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BU of 3dpc by Molmil
Structure of E.coli Alkaline Phosphatase Mutant in Complex with a Phosphorylated Peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, PHOSPHATE ION, ...
Authors:Wang, W.H, Jiang, T.
Deposit date:2008-07-07
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Biosens.Bioelectron., 24, 2009
8K0C
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BU of 8k0c by Molmil
Cryo-EM structure of conformation 1 of complex of Nipah virus attachment glycoprotein G with 1E5 neutralizing antibody
Descriptor: Glycoprotein G, Heavy chain of 1E5 Fab fragments, Light chain of 1E5 Fab fragments
Authors:Sun, M.M.
Deposit date:2023-07-08
Release date:2024-05-01
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
8K0D
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BU of 8k0d by Molmil
Cryo-EM structure of conformation 2 of complex of Nipah virus attachment G with 1E5 neutralizing antibody
Descriptor: Glycoprotein G, The heavy chain of 1E5, The light chain of 1E5
Authors:Sun, M.
Deposit date:2023-07-08
Release date:2024-05-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
3MTS
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BU of 3mts by Molmil
Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1
Descriptor: Histone-lysine N-methyltransferase SUV39H1
Authors:Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.
Plos One, 7, 2012
3N2N
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BU of 3n2n by Molmil
The Crystal Structure of Tumor Endothelial Marker 8 (TEM8) extracellular domain
Descriptor: ACETATE ION, Anthrax toxin receptor 1, MAGNESIUM ION
Authors:Fu, S, Tong, X.H, Wu, Y, Li, Y.Y, Rao, Z.H.
Deposit date:2010-05-18
Release date:2011-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of tumor endothelial marker 8 (TEM8) extracellular domain and implications for its receptor function for recognizing anthrax toxin.
Plos One, 5, 2010
3JSF
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BU of 3jsf by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 638 at 1.93a resolution
Descriptor: 7-(2-fluorobenzyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-10
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
1C6X
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BU of 1c6x by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
1C6Y
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BU of 1c6y by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
6XKC
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BU of 6xkc by Molmil
Crystal structure of E3 ligase
Descriptor: Protein fem-1 homolog C
Authors:Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC)
Deposit date:2020-06-26
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron.
Nat.Chem.Biol., 17, 2021
3JSG
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BU of 3jsg by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 707 at 1.58a resolution
Descriptor: 7-(pyridin-3-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-10
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
3JTU
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BU of 3jtu by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 708 at 1.86a resolution
Descriptor: 7-(pyridin-2-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-14
Release date:2009-11-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
2MXB
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BU of 2mxb by Molmil
Structure of the transmembrane domain of the mouse erythropoietin receptor
Descriptor: Erythropoietin receptor
Authors:Li, Q, Wong, Y, Lee, M, Kang, C.
Deposit date:2014-12-19
Release date:2015-09-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the transmembrane domain of the mouse erythropoietin receptor in detergent micelles.
Sci Rep, 5, 2015
3L5T
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BU of 3l5t by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with thiophenepiperazinylquinolinone inhibitor at 1.86A resolution
Descriptor: 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
6A50
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BU of 6a50 by Molmil
structure of benzoylformate decarboxylases in complex with cofactor TPP
Descriptor: MAGNESIUM ION, THIAMINE DIPHOSPHATE, benzoylformate decarboxylases
Authors:Guo, Y, Wang, S, Nie, Y, Li, S.
Deposit date:2018-06-21
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Synthetic Pathway for Acetyl-Coenzyme A Biosynthesis
Nat Commun, 2019
3L5R
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BU of 3l5r by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with phenylchromenone inhibitor at 1.94A resolution
Descriptor: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5U
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BU of 3l5u by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with benzothiazole inhibitor at 1.90A resolution
Descriptor: 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5S
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BU of 3l5s by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyrimidinylphenyl inhibitor at 1.86A resolution
Descriptor: 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
2RG3
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BU of 2rg3 by Molmil
Covalent complex structure of elastase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Leukocyte elastase
Authors:Huang, W, Yamamoto, Y.
Deposit date:2007-10-02
Release date:2008-07-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray snapshot of the mechanism of inactivation of human neutrophil elastase by 1,2,5-thiadiazolidin-3-one 1,1-dioxide derivatives.
J.Med.Chem., 51, 2008
3L5V
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BU of 3l5v by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with glycerol at 1.70A resolution
Descriptor: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
6P7I
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BU of 6p7i by Molmil
Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound
Descriptor: GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ...
Authors:Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2019-06-05
Release date:2019-06-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor
J.Med.Chem., 63, 2020
3L5P
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BU of 3l5p by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyridazinol inhibitor at 1.80A resolution
Descriptor: 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
7KN3
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BU of 7kn3 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ...
Authors:Liu, H, Zhu, X, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
7KN4
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BU of 7kn4 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-E6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S-E6 Fab heavy chain, S-E6 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
3T1F
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BU of 3t1f by Molmil
Crystal structure of the mouse CD1d-Glc-DAG-s2 complex
Descriptor: (2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Girardi, E, Zajonc, D.M.
Deposit date:2011-07-21
Release date:2011-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Invariant natural killer T cells recognize glycolipids from pathogenic Gram-positive bacteria.
Nat.Immunol., 12, 2011

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