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1QNN
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BU of 1qnn by Molmil
Cambialistic superoxide dismutase from Porphyromonas gingivalis
Descriptor: FE (III) ION, SUPEROXIDE DISMUTASE
Authors:Sugio, S, Hiraoka, B.Y, Yamakura, F.
Deposit date:1999-10-20
Release date:2000-06-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Cambialistic Superoxide Dismutase from Porphyromonas Gingivalis
Eur.J.Biochem., 267, 2000
2X3W
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BU of 2x3w by Molmil
structure of mouse syndapin I (crystal form 2)
Descriptor: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1
Authors:Ma, Q, Rao, Y, Saenger, W, Haucke, V.
Deposit date:2010-01-28
Release date:2010-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
6HZN
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BU of 6hzn by Molmil
Crystal structure of human dermatan sulfate epimerase 1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hasan, M, Unge, J, Westergren-Thorsson, G, Ellervik, U, Mueller, U, Malmstrom, A, Tykesson, E.
Deposit date:2018-10-23
Release date:2020-01-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The structure of human dermatan sulfate epimerase 1 emphasizes the importance of C5-epimerization of glucuronic acid in higher organisms
Chem Sci, 2020
2X3X
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BU of 2x3x by Molmil
structure of mouse syndapin I (crystal form 1)
Descriptor: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1
Authors:Ma, Q, Rao, Y, Vahedi-Faridi, A, Saenger, W, Haucke, V.
Deposit date:2010-01-28
Release date:2010-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
2X3V
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BU of 2x3v by Molmil
Structure of The F-BAR Domain of Mouse Syndapin I
Descriptor: PROTEIN KINASE C AND CASEIN KINASE SUBSTRATE IN NEURONS PROTEIN 1
Authors:Ma, Q, Rao, Y, Vahedi-Faridi, A, Saenger, W, Haucke, V.
Deposit date:2010-01-27
Release date:2010-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Molecular Basis for SH3 Domain Regulation of F-Bar-Mediated Membrane Deformation.
Proc.Natl.Acad.Sci.USA, 107, 2010
7YXU
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BU of 7yxu by Molmil
Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB.
Descriptor: MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ...
Authors:Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L.
Deposit date:2022-02-16
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies.
Mol.Cancer Ther., 22, 2023
7MQV
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BU of 7mqv by Molmil
Crystal structure of truncated (ACT domain removed) prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD
Descriptor: CHLORIDE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Shabalin, I.G, Gritsunov, A, Gabryelska, A, Czub, M.P, Grabowski, M, Cooper, D.R, Christendat, D, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-05-06
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of Bacillus anthracis prephenate dehydrogenase identified an ACT regulatory domain and a novel mode of metabolic regulation for proteins within the prephenate dehydrogenase family of enzyme
to be published
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
Descriptor: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6OU2
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BU of 6ou2 by Molmil
Crystal Structure of the D478N Variant of the Myocilin Olfactomedin Domain
Descriptor: GLYCEROL, Myocilin, SODIUM ION
Authors:Hill, S.E, Kwon, M.S, Lieberman, R.L.
Deposit date:2019-05-03
Release date:2019-07-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
6OU3
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BU of 6ou3 by Molmil
Crystal Structure of the D478S Variant of the Myocilin Olfactomedin Domain
Descriptor: GLYCEROL, Myocilin, SODIUM ION
Authors:Hill, S.E, Kwon, M.S, Lieberman, R.L.
Deposit date:2019-05-03
Release date:2019-07-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
6OU1
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BU of 6ou1 by Molmil
Crystal Structure of the Computationally-derived 21-Variant of the Myocilin Olfactomedin Domain
Descriptor: CALCIUM ION, GLYCEROL, Myocilin, ...
Authors:Hill, S.E, Kwon, M.S, Lieberman, R.L.
Deposit date:2019-05-03
Release date:2019-07-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
6OU0
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BU of 6ou0 by Molmil
Crystal Structure of the D380A/D478S Variant of the Myocilin Olfactomedin Domain
Descriptor: GLYCEROL, Myocilin
Authors:Hill, S.E, Kwon, M.S, Lieberman, R.L.
Deposit date:2019-05-03
Release date:2019-07-03
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
Descriptor: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
5UYY
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BU of 5uyy by Molmil
Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with L-tyrosine
Descriptor: Prephenate dehydrogenase, TYROSINE
Authors:Shabalin, I.G, Hou, J, Cymborowski, M.T, Kwon, K, Christendat, D, Gritsunov, A.O, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-24
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
6WTQ
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BU of 6wtq by Molmil
Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ...
Authors:Yu, S, Nithianantham, S, Fischer, M.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.79968476 Å)
Cite:Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
6WTN
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BU of 6wtn by Molmil
Human JAK2 JH1 domain in complex with Ruxolitinib
Descriptor: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2
Authors:Yu, S, Nithianantham, S, Fischer, M.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
6WTP
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BU of 6wtp by Molmil
Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3
Descriptor: GLYCEROL, Tyrosine-protein kinase JAK2, tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate
Authors:Yu, S, Nithianantham, S, Fischer, M.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
6WTO
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BU of 6wto by Molmil
Human JAK2 JH1 domain in complex with Baricitinib
Descriptor: 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2
Authors:Yu, S, Nithianantham, S, Fischer, M.
Deposit date:2020-05-03
Release date:2021-05-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia.
Blood, 138, 2021
6WWB
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BU of 6wwb by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the compound 3b
Descriptor: 1,2-ETHANEDIOL, 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide, Bromodomain-containing protein 2
Authors:White, S.W, Yun, M.
Deposit date:2020-05-08
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Phenyl-Glutarimides: Alternative Cereblon Binders for the Design of PROTACs.
Angew.Chem.Int.Ed.Engl., 60, 2021
6OV8
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BU of 6ov8 by Molmil
2.6 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Peptidase B, ...
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-05-07
Release date:2019-05-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
6OAD
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BU of 6oad by Molmil
2.05 Angstrom Resolution Crystal Structure of Aminopeptidase B from Escherichia coli str. K-12 substr. MG1655.
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, CALCIUM ION, ...
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Grimshaw, S, Kwon, K, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-03-15
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Comparison of metal-bound and unbound structures of aminopeptidase B proteins from Escherichia coli and Yersinia pestis.
Protein Sci., 29, 2020
6VOY
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BU of 6voy by Molmil
Cryo-EM structure of HTLV-1 instasome
Descriptor: DNA (25-MER), DNA (5'-D(P*AP*CP*AP*CP*AP*CP*TP*TP*GP*AP*CP*TP*AP*GP*GP*GP*TP*G)-3'), DNA-binding protein 7d, ...
Authors:Bhatt, V, Shi, K, Sundborger, A, Aihara, H.
Deposit date:2020-02-01
Release date:2020-07-01
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of host protein hijacking in human T-cell leukemia virus integration.
Nat Commun, 11, 2020
1FN3
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BU of 1fn3 by Molmil
CRYSTAL STRUCTURE OF NICKEL RECONSTITUTED HEMOGLOBIN-A CASE FOR PERMANENT, T-STATE HEMOGLOBIN
Descriptor: HEMOGLOBIN ALPHA CHAIN, HEMOGLOBIN BETA CHAIN, PROTOPORPHYRIN IX CONTAINING NI(II)
Authors:Venkateshrao, S, Deepthi, S, Pattabhi, V, Manoharan, P.T.
Deposit date:2000-08-20
Release date:2003-10-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structure of Nickel Reconstituted Hemoglobin - A Case for Permanent, T-State Hemoglobin
CURR.SCI., 84, 2003
3M2M
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BU of 3m2m by Molmil
Rat galectin-1 complex with lactose
Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Lobsanov, Y.D, Rini, J.M, Leffler, H.
Deposit date:2010-03-07
Release date:2010-07-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Monovalent interactions of galectin-1.
Biochemistry, 49, 2010
5CJH
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BU of 5cjh by Molmil
Crystal Structure of Eukaryotic Oxoiron MagKatG2 at pH 8.5
Descriptor: Catalase-peroxidase 2, HYDROXIDE ION, Peroxidized Heme
Authors:Gasselhuber, B, Obinger, C, Fita, I, Carpena, X.
Deposit date:2015-07-14
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Eukaryotic Catalase-Peroxidase: The Role of the Trp-Tyr-Met Adduct in Protein Stability, Substrate Accessibility, and Catalysis of Hydrogen Peroxide Dismutation.
Biochemistry, 54, 2015

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