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8FR4
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BU of 8fr4 by Molmil
Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3j
Descriptor: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.E, McKenna, R.
Deposit date:2023-01-06
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.123 Å)
Cite:New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors.
Molecules, 28, 2023
1BXR
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BU of 1bxr by Molmil
STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP
Descriptor: CARBAMOYL-PHOSPHATE SYNTHASE, CHLORIDE ION, L-ornithine, ...
Authors:Thoden, J.B, Wesenberg, G, Raushel, F.M, Holden, H.M.
Deposit date:1998-10-08
Release date:1999-04-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Carbamoyl phosphate synthetase: closure of the B-domain as a result of nucleotide binding.
Biochemistry, 38, 1999
7T1Z
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BU of 7t1z by Molmil
Structure of the Fbw7-Skp1-MycNdegron complex
Descriptor: F-box/WD repeat-containing protein 7, Myc proto-oncogene N terminal degron, S-phase kinase-associated protein 1, ...
Authors:Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N.
Deposit date:2021-12-02
Release date:2022-02-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor.
Sci Adv, 8, 2022
5ZRN
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BU of 5zrn by Molmil
Inhibitor bound crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis
Descriptor: 5'-O-{[(1R)-1-hydroxydodecyl]sulfamoyl}adenosine, Long-chain-fatty-acid--CoA ligase FadD13
Authors:Goyal, A, Sankaranarayanan, R.
Deposit date:2018-04-24
Release date:2019-04-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Inhibitor bound crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis
To Be Published
6Q9H
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BU of 6q9h by Molmil
HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 11 AT 2.0A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: (4~{S})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, E3 ubiquitin-protein ligase Mdm2
Authors:Kallen, J.
Deposit date:2018-12-18
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
7LK3
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BU of 7lk3 by Molmil
Crystal structure of untwinned human GABARAPL2
Descriptor: 1,2-ETHANEDIOL, Gamma-aminobutyric acid receptor-associated protein-like 2
Authors:Scicluna, K, Dewson, G, Czabotar, P.E, Birkinshaw, R.W.
Deposit date:2021-02-01
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A new crystal form of GABARAPL2.
Acta Crystallogr.,Sect.F, 77, 2021
8RQN
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BU of 8rqn by Molmil
Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009
Descriptor: 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Thyroid hormone receptor beta
Authors:Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C.
Deposit date:2024-01-18
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
1CXA
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BU of 1cxa by Molmil
CRYSTALLIZATION AND X-RAY STRUCTURE DETERMINATION OF CYTOCHROME C2 FROM RHODOBACTER SPHAEROIDES IN THREE CRYSTAL FORMS
Descriptor: CYTOCHROME C2, HEME C, IMIDAZOLE
Authors:Axelrod, H.L, Feher, G, Allen, J.P, Chirino, A.J, Day, M.W, Hsu, B.T, Rees, D.C.
Deposit date:1994-02-14
Release date:1995-07-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallization and X-ray structure determination of cytochrome c2 from Rhodobacter sphaeroides in three crystal forms.
Acta Crystallogr.,Sect.D, 50, 1994
8RQO
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BU of 8rqo by Molmil
Human thyroid hormone receptor alpha ligand binding domain in complex with beta-selective agonist ALG-055009
Descriptor: 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Isoform Alpha-1 of Thyroid hormone receptor alpha, SULFATE ION
Authors:Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C.
Deposit date:2024-01-18
Release date:2024-09-11
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
4FZJ
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BU of 4fzj by Molmil
Pantothenate synthetase in complex with 1,3-DIMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid, ETHANOL, ...
Authors:Silvestre, H.L, Blundell, T.L, Abell, C, Ciulli, A.
Deposit date:2012-07-06
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
3V4T
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BU of 3v4t by Molmil
E. cloacae C115D MURA liganded with UNAG
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2011-12-15
Release date:2012-03-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
1X9F
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BU of 1x9f by Molmil
Hemoglobin Dodecamer from Lumbricus Erythrocruorin
Descriptor: CARBON MONOXIDE, Globin II, extracellular, ...
Authors:Strand, K, Knapp, J.E, Bhyravbhatla, B, Royer Jr, W.E.
Deposit date:2004-08-20
Release date:2004-11-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the hemoglobin dodecamer from lumbricus erythrocruorin: allosteric core of giant annelid respiratory complexes
J.Mol.Biol., 344, 2004
1SHR
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BU of 1shr by Molmil
Crystal structure of ferrocyanide bound human hemoglobin A2 at 1.88A resolution
Descriptor: CYANIDE ION, FE (III) ION, Hemoglobin alpha chain, ...
Authors:Sen, U, Dasgupta, J, Choudhury, D, Datta, P, Chakrabarti, A, Chakrabarty, S.B, Chakrabarty, A, Dattagupta, J.K.
Deposit date:2004-02-26
Release date:2004-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of HbA2 and HbE and modeling of hemoglobin delta4: interpretation of the thermal stability and the antisickling effect of HbA2 and identification of the ferrocyanide binding site in Hb
Biochemistry, 43, 2004
1D1G
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BU of 1d1g by Molmil
DIHYDROFOLATE REDUCTASE FROM THERMOTOGA MARITIMA
Descriptor: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Dams, T, Auerbach, G, Bader, G, Ploom, T, Huber, R, Jaenicke, R.
Deposit date:1999-09-16
Release date:2000-03-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of dihydrofolate reductase from Thermotoga maritima: molecular features of thermostability.
J.Mol.Biol., 297, 2000
3IIQ
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BU of 3iiq by Molmil
Crystallographic analysis of bacterial signal peptidase in ternary complex with Arylomycin A2 and a beta-sultam inhibitor
Descriptor: 10-METHYLUNDECANOIC ACID, 4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine, ACETONITRILE, ...
Authors:Paetzel, M.
Deposit date:2009-08-03
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Analysis of Bacterial Signal Peptidase in Ternary Complex with Arylomycin A2 and a Beta-Sultam Inhibitor.
Biochemistry, 48, 2009
4E2W
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BU of 4e2w by Molmil
X-ray Structure of the H181N mutant of TcaB9, a C-3'-Methyltransferase, in Complex with S-Adenosyl-L-Homocysteine and Sugar Product
Descriptor: (2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Bruender, N.A, Holden, H.M.
Deposit date:2012-03-09
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Probing the catalytic mechanism of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.
Protein Sci., 21, 2012
4E33
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BU of 4e33 by Molmil
X-ray Structure of the C-3'-Methyltransferase TcaB9 in Complex with S-Adenosyl-L-Homocysteine and Reduced dTDP-Sugar Substrate
Descriptor: (2R,4S,5R,6R)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate, S-ADENOSYL-L-HOMOCYSTEINE, TcaB9, ...
Authors:Bruender, N.A, Holden, H.M.
Deposit date:2012-03-09
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the catalytic mechanism of a C-3'-methyltransferase involved in the biosynthesis of D-tetronitrose.
Protein Sci., 21, 2012
1CMU
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BU of 1cmu by Molmil
THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B.
Deposit date:1995-04-10
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase.
Protein Sci., 4, 1995
1D0J
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BU of 1d0j by Molmil
STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 IN COMPLEX WITH A M4-1BB PEPTIDE
Descriptor: 4-1BB LIGAND RECEPTOR, TUMOR NECROSIS FACTOR RECEPTOR ASSOCIATED PROTEIN 2
Authors:Ye, H, Park, Y.C, Kreishman, M, Kieff, E, Wu, H.
Deposit date:1999-09-10
Release date:2000-03-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structural basis for the recognition of diverse receptor sequences by TRAF2.
Mol.Cell, 4, 1999
6Q96
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BU of 6q96 by Molmil
HDM2 (17-111, WILD TYPE) COMPLEXED WITH COMPOUND 12 AT 1.8A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Descriptor: 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Kallen, J.
Deposit date:2018-12-17
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural States of Hdm2 and HdmX: X-ray Elucidation of Adaptations and Binding Interactions for Different Chemical Compound Classes.
Chemmedchem, 14, 2019
6JU5
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BU of 6ju5 by Molmil
Aspergillus oryzae pro-tyrosinase C92A/F513Y mutant
Descriptor: COPPER (II) ION, Tyrosinase
Authors:Fujieda, N, Umakoshi, K, Nishikawa, Y, Kurisu, G, Itoh, S.
Deposit date:2019-04-13
Release date:2020-05-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Copper-Oxygen Dynamics in the Tyrosinase Mechanism.
Angew.Chem.Int.Ed.Engl., 59, 2020
6WR1
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BU of 6wr1 by Molmil
Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone
Descriptor: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
Authors:Petrunak, E.M, Bart, A.G, Scott, E.E.
Deposit date:2020-04-29
Release date:2021-05-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
6WR0
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BU of 6wr0 by Molmil
Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog
Descriptor: (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Petrunak, E.M, Bart, A.G, Scott, E.E.
Deposit date:2020-04-29
Release date:2021-05-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
3LFL
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BU of 3lfl by Molmil
Crystal Structure of human Glutathione Transferase Omega 1, delta 155
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLUTATHIONE, Glutathione S-transferase omega-1
Authors:Brock, J.
Deposit date:2010-01-18
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel folding and stability defects cause a deficiency of human glutathione transferase omega 1.
J.Biol.Chem., 286, 2011
6WW0
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BU of 6ww0 by Molmil
Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog
Descriptor: (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Petrunak, E.M, Bart, A.G, Scott, E.E.
Deposit date:2020-05-07
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023

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