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8VJ2
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BU of 8vj2 by Molmil
Crystal Structure of Macrophage migration inhibitory factor-1 (MIF1) from Onchocerca volvulus
Descriptor: Macrophage migration inhibitory factor-1, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-05
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Macrophage migration inhibitory factor-1 (MIF1) from Onchocerca volvulus
To be published
8VR0
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BU of 8vr0 by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (GMP bound)
Descriptor: Betaine aldehyde dehydrogenase, CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (GMP bound)
To be published
8VR1
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BU of 8vr1 by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CTP bound)
Descriptor: Betaine aldehyde dehydrogenase, CYTIDINE-5'-TRIPHOSPHATE, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CTP bound)
To be published
8W21
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BU of 8w21 by Molmil
Crystal Structure of Enolase from Chlamydia trachomatis (P43212 Form)
Descriptor: DI(HYDROXYETHYL)ETHER, Enolase, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-19
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Enolase from Chlamydia trachomatis (P43212 Form)
To be published
8VQZ
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BU of 8vqz by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CMP bound)
Descriptor: Betaine aldehyde dehydrogenase, CYTIDINE-5'-MONOPHOSPHATE, PHOSPHATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CMP bound)
To be published
8VQW
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BU of 8vqw by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CoA bound)
Descriptor: Betaine aldehyde dehydrogenase, CHLORIDE ION, COENZYME A, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CoA bound)
To be published
8W0D
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BU of 8w0d by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor
Descriptor: 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor
To be published
8W0B
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BU of 8w0b by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopropyl AMP ester inhibitor
Descriptor: 5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase 2, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopropyl AMP ester inhibitor
To be published
8W0C
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BU of 8w0c by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl ester AMP inhibitor
Descriptor: 5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopentyl ester AMP inhibitor
To be published
8W0J
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BU of 8w0j by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor
Descriptor: 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor
To be published
8W0H
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BU of 8w0h by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form)
Descriptor: 5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with an isopropyl AMP ester inhibitor (trigonal form)
To be published
8W0M
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BU of 8w0m by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a Acetyl Sulfamate AMP ester inhibitor
Descriptor: 5'-O-(acetylsulfamoyl)adenosine, Acetyl-coenzyme A synthetase 2
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a Acetyl Sulfamate AMP ester inhibitor
To be published
8W0L
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BU of 8w0l by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor and CoA
Descriptor: 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor and CoA
To be published
8V4R
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BU of 8v4r by Molmil
Crystal structure of Acetyl-CoA synthetase 2 in complex with AMP and CoA from Candida albicans
Descriptor: ACETIC ACID, ADENOSINE MONOPHOSPHATE, Acetyl-coenzyme A synthetase 2, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-29
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 in complex with AMP and CoA from Candida albicans
To be published
5FD2
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BU of 5fd2 by Molmil
B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor
Descriptor: 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine, Serine/threonine-protein kinase B-raf
Authors:Whittington, D.A, Epstein, L.F.
Deposit date:2015-12-15
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Purinylpyridinylamino-based DFG-in/ alpha C-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.
Bioorg.Med.Chem., 24, 2016
6HHB
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BU of 6hhb by Molmil
Structure of iron bound IbpS from Dickeya dadantii
Descriptor: ABC-type Fe3+ transport system, periplasmic component, ACETATE ION, ...
Authors:Gueguen-Chaignon, V, Condemine, G, Terradot, L.
Deposit date:2018-08-27
Release date:2019-09-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.80000341 Å)
Cite:A secreted metal-binding protein protects necrotrophic phytopathogens from reactive oxygen species.
Nat Commun, 10, 2019
7VTR
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BU of 7vtr by Molmil
3-ketoacyl-CoA thiolase Tfu_0875
Descriptor: Thiolase
Authors:Liu, L.X, Zhou, S.H, Deng, Y.
Deposit date:2021-10-30
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Rational Design of the Substrate Tunnel of beta-Ketothiolase Reveals a Local Cationic Domain Modulated Rule that Improves the Efficiency of Claisen Condensation
Acs Catalysis, 13, 2023
7UKL
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BU of 7ukl by Molmil
Cryo-EM structure of Antibody 12-16 in complex with prefusion SARS-CoV-2 Spike glycoprotein
Descriptor: 12-16 Fab Heavy Chain, 12-16 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Casner, R.G, Shapiro, L.
Deposit date:2022-04-01
Release date:2023-10-04
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Antibodies targeting a quaternary site on SARS-CoV-2 spike glycoprotein prevent viral receptor engagement by conformational locking.
Immunity, 56, 2023
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
Descriptor: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
Authors:Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
Deposit date:2020-04-11
Release date:2021-02-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
3UUF
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BU of 3uuf by Molmil
Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIP1, secretory lipase (Family 3), ...
Authors:Xu, T, Xu, J, Hou, S, Liu, J.
Deposit date:2011-11-28
Release date:2012-04-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
2G8X
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BU of 2g8x by Molmil
Escherichia coli Y209W apoprotein
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CARBONATE ION, PHOSPHATE ION, ...
Authors:Lee, T.T, Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-03
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: Variants of conserved dUMP-binding Tyr-261
TO BE PUBLISHED
2G8D
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BU of 2g8d by Molmil
Lactobacillus casei thymidylate synthase Y261W-dUMP complex
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-02
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G89
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BU of 2g89 by Molmil
L. casei thymidylate synthase Y261A in complex with substrate, dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-02
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G86
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BU of 2g86 by Molmil
L. casei thymidylate synthase Y261F in complex with substrate, dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-01
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
8B78
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BU of 8b78 by Molmil
KRasG12C ligand complex
Descriptor: 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Phillips, C, Breed, J.
Deposit date:2022-09-29
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.
J.Med.Chem., 66, 2023

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PDB entries from 2024-09-04

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