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5L31
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BU of 5l31 by Molmil
Crystal structure of an engineered metal-free RIDC1 variant containing five disulfide bonds.
Descriptor: HEME C, SODIUM ION, Soluble cytochrome b562
Authors:Tezcan, F.A, Churchfield, L.A.
Deposit date:2016-08-02
Release date:2016-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:De Novo Design of an Allosteric Metalloprotein Assembly with Strained Disulfide Bonds.
J.Am.Chem.Soc., 138, 2016
5L32
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BU of 5l32 by Molmil
Crystal structure of the Zn-RIDC1 complex bearing six interfacial disulfide bonds
Descriptor: HEME C, HEXAETHYLENE GLYCOL, Soluble cytochrome b562, ...
Authors:Churchfield, L.A, Tezcan, F.A.
Deposit date:2016-08-02
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De Novo Design of an Allosteric Metalloprotein Assembly with Strained Disulfide Bonds.
J.Am.Chem.Soc., 138, 2016
7ZRB
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BU of 7zrb by Molmil
Crystal structure of Beta-catenin Armadillo repeats domain in complex with the inhibitor RS6452
Descriptor: 4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide, Catenin beta-1
Authors:Capelli, D, Pochetti, G, Montanari, R.
Deposit date:2022-05-04
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.434 Å)
Cite:Novel N -(Heterocyclylphenyl)benzensulfonamide Sharing an Unreported Binding Site with T-Cell Factor 4 at the beta-Catenin Armadillo Repeats Domain as an Anticancer Agent.
Acs Pharmacol Transl Sci, 6, 2023
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
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
6O1F
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BU of 6o1f by Molmil
Complex between soybean trypsin inhibitor beta1-tryptase and a humanized fab
Descriptor: 1,2-ETHANEDIOL, Heavy Chain hu31A.v11, Light Chain hu31A.v11, ...
Authors:Ultsch, M.H, Yi, T.
Deposit date:2019-02-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An Allosteric Anti-tryptase Antibody for the Treatment of Mast Cell-Mediated Severe Asthma.
Cell, 179, 2019
1EO6
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BU of 1eo6 by Molmil
CRYSTAL STRUCTURE OF GATE-16
Descriptor: GOLGI-ASSOCIATED ATPASE ENHANCER OF 16 KD
Authors:Paz, Y, Elazar, Z, Fass, D.
Deposit date:2000-03-22
Release date:2000-09-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of GATE-16, membrane transport modulator and mammalian ortholog of autophagocytosis factor Aut7p.
J.Biol.Chem., 275, 2000
8FD1
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BU of 8fd1 by Molmil
Crystal structure of photoactivated rhodopsin in complex with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ...
Authors:Salom, D, Palczewski, K, Kiser, P.D.
Deposit date:2022-12-01
Release date:2023-08-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain.
Nat Commun, 14, 2023
8FD0
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BU of 8fd0 by Molmil
Crystal structure of bovine rod opsin in complex with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ...
Authors:Salom, D, Palczewski, K, Kiser, P.D.
Deposit date:2022-12-01
Release date:2023-08-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain.
Nat Commun, 14, 2023
8FCZ
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BU of 8fcz by Molmil
Crystal structure of ground-state rhodopsin in complex with a nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ...
Authors:Salom, D, Palczewski, K, Kiser, P.D.
Deposit date:2022-12-01
Release date:2023-08-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain.
Nat Commun, 14, 2023
4JEB
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BU of 4jeb by Molmil
Crystal structure of an engineered RIDC1 tetramer with four interfacial disulfide bonds and four three-coordinate Zn(II) sites
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, soluble cytochrome b562
Authors:Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D.
Deposit date:2013-02-26
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
6VVU
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BU of 6vvu by Molmil
Anti-Tryptase fab E104.v1 bound to tryptase
Descriptor: CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ...
Authors:Ultsch, M, Koerber, J.T.
Deposit date:2020-02-18
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge.
Nat Commun, 11, 2020
4JE9
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BU of 4je9 by Molmil
Crystal structure of an engineered metal-free RIDC1 construct with four interfacial disulfide bonds
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562
Authors:Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D.
Deposit date:2013-02-26
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
4JEA
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BU of 4jea by Molmil
Crystal structure of an engineered Zn-RIDC1 construct with four interfacial disulfide bonds
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ZINC ION, ...
Authors:Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D.
Deposit date:2013-02-26
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
7L07
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BU of 7l07 by Molmil
Last common ancestor of HMPPK and PLK/HMPPK vitamin kinases
Descriptor: ALUMINUM FLUORIDE, Ancestral Protein AncC
Authors:Gonzalez-Ordenes, F, Maturana, P, Herrera-Morande, A, Araya, G, Arizabalos, S, Castro-Fernandez, V.
Deposit date:2020-12-11
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and molecular dynamics simulations of a promiscuous ancestor reveal residues and an epistatic interaction involved in substrate binding and catalysis in the ATP-dependent vitamin kinase family members.
Protein Sci., 30, 2021
1B0B
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BU of 1b0b by Molmil
HEMOGLOBIN I FROM THE CLAM LUCINA PECTINATA, CYANIDE COMPLEX AT 100 KELVIN
Descriptor: CYANIDE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Rosano, C, Rizzi, M, Ascenzi, P, Bolognesi, M.
Deposit date:1998-11-06
Release date:2000-02-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Cyanide binding to Lucina pectinata hemoglobin I and to sperm whale myoglobin: an x-ray crystallographic study.
Biophys.J., 77, 1999
5HHV
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BU of 5hhv by Molmil
Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, IL-17A peptide inhibitor, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide.
Sci Rep, 6, 2016
5HI3
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BU of 5hi3 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, Interleukin-17A, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
5HI4
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BU of 5hi4 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: (9'S,17'R)-6'-chloro-N-methyl-9'-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-10',19'-dioxo-2'-oxa-11',18'-diazaspiro[cyclopentane-1,21'-tetracyclo[20.2.2.2~12,15~.1~3,7~]nonacosane]-1'(24'),3'(29'),4',6',12',14',22',25',27'-nonaene-17'-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
5HHX
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BU of 5hhx by Molmil
Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, IL-17A peptide inhibitor, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-06-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide.
Sci Rep, 6, 2016
5HI5
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BU of 5hi5 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: (4S,20R)-7-chloro-N-methyl-4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3,18-dioxo-2,19-diazatetracyclo[20.2.2.1~6,10~.1~11,15~]octacosa-1(24),6(28),7,9,11(27),12,14,22,25-nonaene-20-carboxamide, CAT-2000 FAB heavy chain, CAT-2000 light chain, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
6C8Z
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BU of 6c8z by Molmil
Last common ancestor of ADP-dependent phosphofructokinases from Methanosarcinales
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADP-dependent phosphofructokinase, MAGNESIUM ION, ...
Authors:Castro-Fernandez, V, Gonzalez-Ordenes, F, Munoz, S, Fuentes, N, Leonardo, D, Fuentealba, M, Herrera-Morande, A, Maturana, P, Villalobos, P, Garratt, R.
Deposit date:2018-01-25
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:ADP-Dependent Kinases From the Archaeal OrderMethanosarcinalesAdapt to Salt by a Non-canonical Evolutionarily Conserved Strategy.
Front Microbiol, 9, 2018
3TUB
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BU of 3tub by Molmil
Crystal structure of SYK kinase domain with 1-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-3-((1R,2S)-2-phenylcyclopropyl)urea
Descriptor: 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea, Tyrosine-protein kinase SYK
Authors:Han, S.
Deposit date:2011-09-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
7MFL
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BU of 7mfl by Molmil
Structure of the Clostridium perfringens GH89 in complex with beta-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
7MFK
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BU of 7mfk by Molmil
Structure of the Clostridium perfringens GH89 in complex with alpha-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021

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