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1TI7
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BU of 1ti7 by Molmil
CRYSTAL STRUCTURE OF NMRA, A NEGATIVE TRANSCRIPTIONAL REGULATOR, IN COMPLEX WITH NADP AT 1.7A RESOLUTION
Descriptor: CHLORIDE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Lamb, H.K, Leslie, K, Dodds, A.L, Nutley, M, Cooper, A, Johnson, C, Thompson, P, Stammers, D.K, Hawkins, A.R.
Deposit date:2004-06-02
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The negative transcriptional regulator NmrA discriminates between oxidized and reduced dinucleotides.
J.Biol.Chem., 278, 2003
4UY1
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BU of 4uy1 by Molmil
Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors
Descriptor: 5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sandmark, J, Oster, L, Hallberg, K, Bodin, C, Chen, H.
Deposit date:2014-08-28
Release date:2014-10-15
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Pyrazole Series of Group X Secreted Phospholipase A2 Inhibitor (Spla2X) Via Fragment Based Virtual Screening
Bioorg.Med.Chem.Lett., 24, 2014
2H92
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BU of 2h92 by Molmil
Crystal Structure of Staphylococcus aureus Cytidine Monophosphate Kinase in complex with cytidine-5'-monophosphate
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, Cytidylate kinase, SULFATE ION, ...
Authors:Dhaliwal, B.
Deposit date:2006-06-08
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Staphylococcus aureus cytidine monophosphate kinase in complex with cytidine 5'-monophosphate.
Acta Crystallogr.,Sect.F, 62, 2006
6RS2
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BU of 6rs2 by Molmil
Structure of the Bateman module of human CNNM4.
Descriptor: Metal transporter CNNM4
Authors:Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A.
Deposit date:2019-05-21
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.694 Å)
Cite:Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
7FI4
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BU of 7fi4 by Molmil
Structure of AcrIF13
Descriptor: AcrIF13
Authors:Feng, Y, Gao, T.
Deposit date:2021-07-30
Release date:2022-07-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
6G52
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BU of 6g52 by Molmil
CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4
Descriptor: Metal transporter CNNM4
Authors:Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A.
Deposit date:2018-03-28
Release date:2019-04-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.691 Å)
Cite:Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
6VTN
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BU of 6vtn by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M.
Deposit date:2020-02-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
6VTY
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BU of 6vty by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM483
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M.
Deposit date:2020-02-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Lead Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series for the Treatment of Malaria.
J.Med.Chem., 63, 2020
9WGA
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BU of 9wga by Molmil
2.2 ANGSTROMS RESOLUTION STRUCTURE ANALYSIS OF TWO REFINED N-ACETYLNEURAMINYLLACTOSE-WHEAT GERM AGGLUTININ ISOLECTIN COMPLEXES
Descriptor: WHEAT GERM LECTIN
Authors:Wright, C.S.
Deposit date:1990-04-20
Release date:1990-10-15
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:2.2 A resolution structure analysis of two refined N-acetylneuraminyl-lactose--wheat germ agglutinin isolectin complexes.
J.Mol.Biol., 215, 1990
6XRJ
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BU of 6xrj by Molmil
Crystal structure of the disulfide linked DH717.1 Fab dimer, derived from a macaque HIV-1 vaccine-induced Env glycan-reactive neutralizing antibody B cell lineage
Descriptor: DH717.1 heavy chain Fab fragment, DH717.1 light chain Fab fragment
Authors:Manne, K, Nicely, N.I, Acharya, P.
Deposit date:2020-07-13
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
6G5J
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BU of 6g5j by Molmil
Secreted phospholipase A2 type X in complex with ligand
Descriptor: (3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sandmark, J, Oster, L.
Deposit date:2018-03-29
Release date:2018-09-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid.
ACS Med Chem Lett, 9, 2018
6PY2
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BU of 6py2 by Molmil
HLA-TCR complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ2.2-glut-L1, GLYCEROL, ...
Authors:Ting, Y.T, Peteren, J, Reid, H.H, Rossjohn, J.
Deposit date:2019-07-28
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.82543421 Å)
Cite:A molecular basis for the T cell response in HLA-DQ2.2 mediated celiac disease.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UIP
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BU of 6uip by Molmil
DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133.
Descriptor: 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:DiDonato, M, Spraggon, G.
Deposit date:2019-10-01
Release date:2020-03-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
6DA4
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BU of 6da4 by Molmil
JAK3 with Cyanamide CP10
Descriptor: (Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2018-05-01
Release date:2018-11-28
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6UX5
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BU of 6ux5 by Molmil
Structure of acrorhagin I from the sea anemone Actinia equina
Descriptor: U-actitoxin-Aeq5a
Authors:Krishnarjuna, B, Sunanda, P, Norton, R.S.
Deposit date:2019-11-06
Release date:2020-11-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A disulfide-stabilised helical hairpin fold in acrorhagin I: An emerging structural motif in peptide toxins.
J.Struct.Biol., 213, 2020
6MRK
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BU of 6mrk by Molmil
Crystal structure of dmNxf2 NTF2-like domain in complex with Nxt1/p15
Descriptor: NTF2-related export protein, Nuclear RNA export factor 2
Authors:Wang, J, Patel, D.J.
Deposit date:2018-10-13
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The nascent RNA binding complex SFiNX licenses piRNA-guided heterochromatin formation.
Nat.Struct.Mol.Biol., 26, 2019
6OPF
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BU of 6opf by Molmil
Crystal structure of dmNxf2 UBA domain fused with Panoramix helix
Descriptor: Nuclear RNA export factor 2, Panoramix fusion
Authors:Wang, J, Patel, D.J.
Deposit date:2019-04-24
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The nascent RNA binding complex SFiNX licenses piRNA-guided heterochromatin formation.
Nat.Struct.Mol.Biol., 26, 2019
8T2I
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BU of 8t2i by Molmil
Negative stain EM assembly of MYC, JAZ, and NINJA complex
Descriptor: AFP homolog 2, Maltose/maltodextrin-binding periplasmic protein, Protein TIFY 10A, ...
Authors:Zhou, X.E, Zhang, Y, Zhou, Y, He, Q, Cao, X, Kariapper, L, Suino-Powell, K, Zhu, Y, Zhang, F, Karsten, M.
Deposit date:2023-06-06
Release date:2023-06-28
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (10.4 Å)
Cite:Assembly of JAZ-JAZ and JAZ-NINJA complexes in jasmonate signaling.
Plant Commun., 4, 2023
7OO5
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BU of 7oo5 by Molmil
Crystal structure of the lignin peroxidase (ApeLiP) from Agrocybe pediades
Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ...
Authors:Romero, A, Ruiz-Duenas, F.J.
Deposit date:2021-05-26
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Agaricales Mushroom Lignin Peroxidase: From Structure-Function to Degradative Capabilities.
Antioxidants, 10, 2021
7ATF
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BU of 7atf by Molmil
Structure of EstD11 in complex with p-Nitrophenol
Descriptor: ACETATE ION, EstD11, FORMIC ACID, ...
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-30
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AV5
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BU of 7av5 by Molmil
Structure of EstD11 in complex with Fluorescein
Descriptor: ACETATE ION, EstD11, FLUORESCIN, ...
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-11-04
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AT0
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BU of 7at0 by Molmil
Structure of the Hormone-Sensitive Lipase like EstD11
Descriptor: EstD11, FORMIC ACID, PHENOL
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-28
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AT4
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BU of 7at4 by Molmil
Structure of EstD11 in complex with Naproxen
Descriptor: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-28
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7ATQ
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BU of 7atq by Molmil
Structure of EstD11 in complex with cyclohexane carboxylic acid
Descriptor: ACETATE ION, EstD11, FORMIC ACID, ...
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-30
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AUY
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BU of 7auy by Molmil
Structure of EstD11 in complex with Fluorescein
Descriptor: EstD11, FLUORESCIN, FORMIC ACID
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-11-03
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021

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