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6OYG
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Crystal structure of H62F mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2019-05-14
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
7AV2
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BU of 7av2 by Molmil
LTA4 hydrolase in complex with fragment1
Descriptor: (4-phenoxyphenyl)methanol, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2020-11-03
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
4X8X
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Crystal structure of Dscam1 isoform 1.9, N-terminal four Ig domains
Descriptor: Down Syndrome cell adhesion molecule isoform 1.9, GLYCEROL, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, Q.
Deposit date:2014-12-11
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition
Sci Adv, 2, 2016
4X9B
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Crystal structure of Dscam1 isoform 4.44, N-terminal four Ig domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Down syndrome cell adhesion molecule, isoform 4.44, ...
Authors:Chen, Q, Yu, Y, Li, S.A, Cheng, L.
Deposit date:2014-12-11
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition
Sci Adv, 2, 2016
6M5M
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BU of 6m5m by Molmil
SPL-1 - GlcNAc complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetylglucosamine-specific lectin
Authors:Unno, H, Hatakeyama, T.
Deposit date:2020-03-11
Release date:2020-06-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Novel carbohydrate-recognition mode of the invertebrate C-type lectin SPL-1 from Saxidomus purpuratus revealed by the GlcNAc-complex crystal in the presence of Ca2.
Acta Crystallogr.,Sect.F, 76, 2020
6P3X
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Crystal Structure of Full Length APOBEC3G E/Q (pH 7.0)
Descriptor: Apolipoprotein B mRNA editing enzyme, catalytic peptide-like 3G, ZINC ION
Authors:Yang, H.J, Li, S.X, Chen, X.S.
Deposit date:2019-05-25
Release date:2020-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Understanding the structural basis of HIV-1 restriction by the full length double-domain APOBEC3G.
Nat Commun, 11, 2020
4WX1
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BU of 4wx1 by Molmil
Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A determined from a crystal soaked with UDP-Galactopyranose
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLYCEROL, SULFATE ION, ...
Authors:Qureshi, I.A, Chaudhary, R.
Deposit date:2014-11-13
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
5EZJ
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BU of 5ezj by Molmil
Crystal Structure of Fab of parasite invasion inhibitory antibody c1 - orthorhombic form
Descriptor: Fab c12 Light chain, Fab c12 heavy chain, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Favuzza, P, Pluschke, G, Rudolph, M.G.
Deposit date:2015-11-26
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the malaria vaccine candidate antigen CyRPA and its complex with a parasite invasion inhibitory antibody.
Elife, 6, 2017
7Q8T
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Crystal structure of NAMPT bound to ligand TSY535(compound 9a)
Descriptor: Nicotinamide phosphoribosyltransferase, SULFATE ION, [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[4-[[[4-(phenylsulfonyl)phenyl]carbamoylamino]methyl]phenyl]oxolan-2-yl]methyl dihydrogen phosphate
Authors:Kraemer, A, Tang, S, Butterworth, S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-11-11
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Chemistry-led investigations into the mode of action of NAMPT activators, resulting in the discovery of non-pyridyl class NAMPT activators.
Acta Pharm Sin B, 13, 2023
4HJY
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BU of 4hjy by Molmil
2.4 A Crystal structure of E. coli MltE-E64Q with bound chitopentaose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-type membrane-bound lytic murein transglycosylase A
Authors:Fibriansah, G, Gliubich, F.I, Thunnissen, A.-M.W.H.
Deposit date:2012-10-14
Release date:2012-10-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:On the Mechanism of Peptidoglycan Binding and Cleavage by the endo-Specific Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 51, 2012
3IW5
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BU of 3iw5 by Molmil
Human p38 MAP Kinase in Complex with an Indole Derivative
Descriptor: Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
6PAE
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BU of 6pae by Molmil
Dickeya chrysanthemi complex with L-Asp at pH 5.6
Descriptor: 1,2-ETHANEDIOL, ASPARTIC ACID, GLYCEROL, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-06-11
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
6P1B
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BU of 6p1b by Molmil
Transcription antitermination factor Q21
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Q protein
Authors:Yin, Z, Ebright, R.H.
Deposit date:2019-05-19
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Structural basis of Q-dependent antitermination.
Proc.Natl.Acad.Sci.USA, 116, 2019
4X9F
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BU of 4x9f by Molmil
Crystal structure of Dscam1 isoform 6.9, N-terminal four Ig domains
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Down Syndrome Cell Adhesion Molecule isoform 6.9, GLYCEROL, ...
Authors:Chen, Q, Yu, Y, Li, S.A, Cheng, L.
Deposit date:2014-12-11
Release date:2015-12-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition
Sci Adv, 2, 2016
7QGJ
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BU of 7qgj by Molmil
Apo structure of BIR2 Domain of BIRC2
Descriptor: 1,2-ETHANEDIOL, Baculoviral IAP repeat-containing protein 2, ZINC ION
Authors:Kraemer, A, Farges, F, Schwalm, M.P, Saxena, K, Preuss, F, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-12-08
Release date:2022-02-09
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Apo structure BIR2 Domain of BIRC2
To Be Published
7QGP
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BU of 7qgp by Molmil
STK10 (LOK) bound to Macrocycle CKJB51
Descriptor: 1,2-ETHANEDIOL, 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea, CHLORIDE ION, ...
Authors:Berger, B.-T, Schroeder, M, Kraemer, A, Schwalm, M.P, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-12-09
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:STK10 bound to CKJB51
To Be Published
5EZO
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BU of 5ezo by Molmil
Crystal Structure of PfCyRPA in complex with an invasion-inhibitory antibody Fab.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PfCyRPA, c12 FAB, ...
Authors:Favuzza, P, Pluschke, G, Rudolph, M.G.
Deposit date:2015-11-26
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Structure of the malaria vaccine candidate antigen CyRPA and its complex with a parasite invasion inhibitory antibody.
Elife, 6, 2017
7Q87
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BU of 7q87 by Molmil
Carboxypeptidase T with (S)-3-phenyllactic acid
Descriptor: ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID, CALCIUM ION, Carboxypeptidase T, ...
Authors:Timofeev, V.I, Akparov, V.K, Shevtsov, M.B, Kuranova, I.P.
Deposit date:2021-11-10
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Carboxypeptidase T with (S)-3-phenyllactic acid
To Be Published
6P0U
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BU of 6p0u by Molmil
Crystal structure of ternary DNA complex " FX(1-2)-2Xis" containing E. coli Fis and phage lambda Xis
Descriptor: DNA (27-MER), FX1-2, DNA-binding protein Fis, ...
Authors:Hancock, S.P, Cascio, D, Johnson, R.C.
Deposit date:2019-05-17
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Cooperative DNA binding by proteins through DNA shape complementarity.
Nucleic Acids Res., 47, 2019
4X2T
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BU of 4x2t by Molmil
X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M17 Leucyl Aminopeptidase from P. falciparum
Descriptor: (2S)-({(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}amino)(phenyl)ethanoic acid, CARBONATE ION, M17 leucyl aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.729 Å)
Cite:X-ray crystal structures of an orally available aminopeptidase inhibitor, Tosedostat, bound to anti-malarial drug targets PfA-M1 and PfA-M17.
Proteins, 83, 2015
6MEK
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BU of 6mek by Molmil
Crystal structure of Hepatitis C virus envelope glycoprotein E2 core in complex with human antibodies HEPC3 and HEPC46
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E2 GLYCOPROTEIN, ...
Authors:Flyak, A.I, Bjorkman, P.J.
Deposit date:2018-09-06
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018
8FO6
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BU of 8fo6 by Molmil
Nucleotide-free structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: CALCIUM ION, Calmodulin-1, Eukaryotic elongation factor 2 kinase, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-29
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
3IET
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BU of 3iet by Molmil
Crystal Structure of 237mAb with antigen
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Immunoglobulin heavy chain (IgG2a), Immunoglobulin light chain (IgG2a), ...
Authors:Brooks, C.L, Evans, S.V, Borisova, S.N.
Deposit date:2009-07-23
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibody recognition of a unique tumor-specific glycopeptide antigen.
Proc.Natl.Acad.Sci.USA, 107, 2010
7QGM
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BU of 7qgm by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the closed state (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGL
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BU of 7qgl by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
Descriptor: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022

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