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2W98
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BU of 2w98 by Molmil
CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE
Descriptor: (2S)-2-hydroxybutanedioic acid, 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, CHLORIDE ION, ...
Authors:Shafqat, N, Yue, W.W, Muniz, J, Picaud, S, Niesen, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-01-22
Release date:2009-04-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
To be Published
7BUZ
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BU of 7buz by Molmil
Crystal structure of Pennisetum glaucum monodehydroascorbate reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pennisetum glaucum monodehydroascorbate reductase
Authors:Sonkar, K.S, Arulandu, A, Achary, M.M, Reddy, M.K.
Deposit date:2020-04-08
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Crystal structure of Pennisetum glaucum monodehydroascorbate reductase
To Be Published
6AU2
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BU of 6au2 by Molmil
Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
Descriptor: 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ...
Authors:MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-08-30
Release date:2017-10-11
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
4CM5
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BU of 4cm5 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLE
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BU of 4cle by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, DITHIANE DIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-14
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
8SH3
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BU of 8sh3 by Molmil
Pendrin in complex with iodide
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, IODIDE ION, ...
Authors:Wang, L, Hoang, A, Zhou, M.
Deposit date:2023-04-13
Release date:2024-02-07
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
7B9X
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BU of 7b9x by Molmil
NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571
Descriptor: N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, Transcription intermediary factor 1-alpha
Authors:Orts, J, Torres, F, Milbradt, A.G, Walser, R.
Deposit date:2020-12-14
Release date:2022-01-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24.
J.Med.Chem., 65, 2022
7EV3
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BU of 7ev3 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-10 and ATP
Descriptor: (5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, M, Chen, S.
Deposit date:2021-05-20
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
3O36
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BU of 3o36 by Molmil
Crystal structure of TRIM24 PHD-Bromo complexed with H4(14-19)K16ac peptide
Descriptor: Histone H4, Transcription intermediary factor 1-alpha, ZINC ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2010-07-23
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:TRIM24 links a non-canonical histone signature to breast cancer.
Nature, 468, 2010
8SHC
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BU of 8shc by Molmil
Pendrin in complex with Niflumic acid
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, CHLORIDE ION, ...
Authors:Wang, L, Hoang, A, Zhou, M.
Deposit date:2023-04-13
Release date:2024-02-07
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
8SIE
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BU of 8sie by Molmil
Pendrin in complex with bicarbonate
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, BICARBONATE ION, CHOLESTEROL, ...
Authors:Wang, L, Hoang, A, Zhou, M.
Deposit date:2023-04-16
Release date:2024-02-07
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mechanism of anion exchange and small-molecule inhibition of pendrin.
Nat Commun, 15, 2024
7EV2
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BU of 7ev2 by Molmil
Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-11 and ATP
Descriptor: (5S)-5-[(1R)-1-(4-chloranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, M, Chen, S.
Deposit date:2021-05-20
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Investigate Natural Product Indolmycin and the Synthetically Improved Analogue Toward Antimycobacterial Agents.
Acs Chem.Biol., 17, 2022
1K8G
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BU of 1k8g by Molmil
Crystal Structure of the N-terminal domain of Oxytricha nova telomere end binding protein alpha subunit both uncomplexed and complexed with telomeric ssDNA
Descriptor: 5'-D(TP*TP*GP*GP*GP*G)-3', SULFATE ION, Telomere-Binding Protein alpha Subunit
Authors:Classen, S, Ruggles, J.A, Schultz, S.C.
Deposit date:2001-10-24
Release date:2001-12-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the N-terminal domain of Oxytricha nova telomere end-binding protein alpha subunit both uncomplexed and complexed with telomeric ssDNA.
J.Mol.Biol., 314, 2001
7VYT
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BU of 7vyt by Molmil
Crystal structure of human TIGIT(23-129) in complex with the scFv fragment of anti-TIGIT antibody MG1131
Descriptor: CITRATE ANION, MG1131 heavy chain variable region, MG1131 light chain variable region, ...
Authors:Jeong, B.-S, Nam, H, Kim, M, Oh, B.-H.
Deposit date:2021-11-15
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural and functional characterization of a monoclonal antibody blocking TIGIT.
Mabs, 14, 2022
6O1D
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BU of 6o1d by Molmil
Cryo-EM structure of the centromeric nucleosome with native alpha satellite DNA
Descriptor: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Zhou, B.-R.
Deposit date:2019-02-19
Release date:2019-05-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.395 Å)
Cite:Atomic resolution cryo-EM structure of a native-like CENP-A nucleosome aided by an antibody fragment.
Nat Commun, 10, 2019
6NU2
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BU of 6nu2 by Molmil
Structural insights into unique features of the human mitochondrial ribosome recycling
Descriptor: 12S rRNA, 16S rRNA, 28S ribosomal protein S10, ...
Authors:Sharma, M.R, Koripella, R.K, Agrawal, R.K.
Deposit date:2019-01-30
Release date:2019-04-17
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into unique features of the human mitochondrial ribosome recycling.
Proc.Natl.Acad.Sci.USA, 116, 2019
8SHK
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BU of 8shk by Molmil
Structure of binary complex of mouse cGAS and bound ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ZINC ION
Authors:Wu, S, Sohn, J.
Deposit date:2023-04-14
Release date:2024-04-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
7T83
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BU of 7t83 by Molmil
Structure of angiotensin II type I receptor (AT1R) nanobody antagonist AT118i4h32
Descriptor: CITRATE ANION, Nanobody AT118i4h32
Authors:Skiba, M.A, Kruse, A.C.
Deposit date:2021-12-15
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An in silico method to assess antibody fragment polyreactivity.
Nat Commun, 13, 2022
7T5C
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BU of 7t5c by Molmil
X-ray structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) at low pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, Lytic polysaccharide monooxygenase, ...
Authors:Schroder, G.C, Meilleur, F.
Deposit date:2021-12-11
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase.
Chem Sci, 13, 2022
4ECR
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BU of 4ecr by Molmil
Human DNA polymerase eta - DNA ternary complex: Reaction in the AT crystal at pH 7.0 for 40 sec
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Nakamura, T, Zhao, Y, Yang, W.
Deposit date:2012-03-26
Release date:2012-07-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
4ECY
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BU of 4ecy by Molmil
Human DNA polymerase eta - DNA ternary complex: AT crystal at pH 6.0 (Na+ MES) with 1 Ca2+ ion
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ...
Authors:Nakamura, T, Zhao, Y, Yang, W.
Deposit date:2012-03-26
Release date:2012-07-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
8SJ1
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BU of 8sj1 by Molmil
Structure of ternary complex of cGAS with dsDNA and bound 3'-dATP
Descriptor: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-04-17
Release date:2024-04-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
7T5E
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BU of 7t5e by Molmil
Neutron structure of Neurospora crassa Polysaccharide Monooxygenase 9D (NcLPMO9D) low pH vapor exchange
Descriptor: COPPER (II) ION, Lytic polysaccharide monooxygenase, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Schroder, G.C, Meilleur, F.
Deposit date:2021-12-11
Release date:2022-12-28
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:Capture of activated dioxygen intermediates at the copper-active site of a lytic polysaccharide monooxygenase.
Chem Sci, 13, 2022
8SJ0
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BU of 8sj0 by Molmil
Structure of ternary complex of cGAS with dsDNA and bound 2'-dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, MAGNESIUM ION, ...
Authors:Wu, S, Sohn, J.
Deposit date:2023-04-17
Release date:2024-04-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS.
Nat Commun, 15, 2024
1OAA
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BU of 1oaa by Molmil
MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ...
Authors:Auerbach, G, Herrmann, A, Bacher, A, Huber, R.
Deposit date:1997-08-25
Release date:1999-02-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
EMBO J., 16, 1997

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