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3PGK
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BU of 3pgk by Molmil
The structure of yeast phosphoglycerate kinase at 0.25 nm resolution
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Shaw, P.J, Walker, N.P, Watson, H.C.
Deposit date:1982-07-15
Release date:1982-09-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Sequence and structure of yeast phosphoglycerate kinase.
Embo J., 1, 1982
1PGI
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BU of 1pgi by Molmil
CRYSTALLOGRAPHIC STRUCTURE ANALYSIS OF GLUCOSE 6-PHOSPHATE ISOMERASE AT 3.5 ANGSTROMS RESOLUTION
Descriptor: D-GLUCOSE 6-PHOSPHATE ISOMERASE
Authors:Muirhead, H.
Deposit date:1977-08-01
Release date:1977-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystallographic structure analysis of glucose 6-phosphate isomerase at 3-5 A resolution.
J.Mol.Biol., 109, 1977
6OKO
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BU of 6oko by Molmil
Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
Authors:Pokross, M.E.
Deposit date:2019-04-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020
1GZV
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BU of 1gzv by Molmil
The crystal structure of phosphoglucose isomerase from pig muscle complexed with 5-phosphoarabinonate
Descriptor: 5-PHOSPHOARABINONIC ACID, GLUCOSE-6-PHOSPHATE ISOMERASE
Authors:Davies, C, Muirhead, H.
Deposit date:2002-06-06
Release date:2002-10-31
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Crystal Structure of Phosphoglucose Isomerase from Pig Muscle and its Complex with 5-Phosphoarabinonate
Proteins: Struct.,Funct., Genet., 49, 2002
7QNY
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BU of 7qny by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-12-23
Release date:2022-01-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
7JRA
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BU of 7jra by Molmil
HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
Descriptor: 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol, GLYCEROL, Tumor necrosis factor
Authors:Sheriff, S.
Deposit date:2020-08-11
Release date:2020-12-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biologic-like In Vivo Efficacy with Small Molecule Inhibitors of TNF alpha Identified Using Scaffold Hopping and Structure-Based Drug Design Approaches.
J.Med.Chem., 63, 2020
6A7E
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BU of 6a7e by Molmil
Human dihydrofolate reductase complexed with NADPH and BT2
Descriptor: 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vanichtanankul, J, Tarnchompoo, B, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y.
Deposit date:2018-07-02
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
6A2N
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BU of 6a2n by Molmil
Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
Deposit date:2018-06-12
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
6A2L
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BU of 6a2l by Molmil
Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
Deposit date:2018-06-12
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
6A2O
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BU of 6a2o by Molmil
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine), Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
Deposit date:2018-06-12
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
6A2P
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BU of 6a2p by Molmil
Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine), Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
Deposit date:2018-06-12
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
6A2M
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BU of 6a2m by Molmil
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
Deposit date:2018-06-12
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
6A2K
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BU of 6a2k by Molmil
Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y.
Deposit date:2018-06-12
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
6A7C
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BU of 6a7c by Molmil
Human dihydrofolate reductase complexed with NADPH and BT1
Descriptor: 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Vanichtanankul, J, Tarnchompoo, B, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y.
Deposit date:2018-07-02
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
7QNW
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BU of 7qnw by Molmil
The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-12-23
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
7QNX
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BU of 7qnx by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-12-23
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
1ALD
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BU of 1ald by Molmil
ACTIVITY AND SPECIFICITY OF HUMAN ALDOLASES
Descriptor: ALDOLASE A
Authors:Watson, H.C.
Deposit date:1991-05-05
Release date:1992-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Activity and specificity of human aldolases.
J.Mol.Biol., 219, 1991
1B0Z
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BU of 1b0z by Molmil
The crystal structure of phosphoglucose isomerase-an enzyme with autocrine motility factor activity in tumor cells
Descriptor: PROTEIN (PHOSPHOGLUCOSE ISOMERASE)
Authors:Sun, Y.-J, Chou, C.-C, Chen, W.-S, Meng, M, Hsiao, C.-D.
Deposit date:1998-11-15
Release date:1999-11-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of phosphoglucose isomerase/autocrine motility factor/neuroleukin complexed with its carbohydrate phosphate inhibitors suggests its substrate/receptor recognition
J.Biol.Chem., 275, 2000
2PGI
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BU of 2pgi by Molmil
THE CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE-AN ENZYME WITH AUTOCRINE MOTILITY FACTOR ACTIVITY IN TUMOR CELLS
Descriptor: PHOSPHOGLUCOSE ISOMERASE
Authors:Sun, Y.-J, Chou, C.-C, Chen, W.-S, Meng, M, Hsiao, C.-D.
Deposit date:1998-10-27
Release date:1999-06-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of a multifunctional protein: phosphoglucose isomerase/autocrine motility factor/neuroleukin.
Proc.Natl.Acad.Sci.USA, 96, 1999
1GZD
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BU of 1gzd by Molmil
Crystal structure of pig phosphoglucose isomerase
Descriptor: GLUCOSE-6-PHOSPHATE ISOMERASE, SULFATE ION
Authors:Davies, C, Muirhead, H.
Deposit date:2002-05-20
Release date:2002-06-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Phosphoglucose Isomerase from Pig Muscle and its Complex with 5-Phosphoarabinonate
Proteins, 49, 2002
2RMA
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BU of 2rma by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Ke, H, Mayrose, D.
Deposit date:1994-01-07
Release date:1995-02-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
2RMB
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BU of 2rmb by Molmil
Crystal structures of cyclophilin A complexed with cyclosporin A and N-methyl-4-[(E)-2-butenyl]-4,4-dimethylthreonine cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Ke, H, Mayrose, D.
Deposit date:1994-01-07
Release date:1995-02-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Cyclophilin a Complexed with Cyclosporin a and N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclosporin A.
Structure, 2, 1994
7L0N
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BU of 7l0n by Molmil
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
Deposit date:2020-12-11
Release date:2021-02-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021

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