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5AAU
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BU of 5aau by Molmil
Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H- pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (AZD9496), a potent and orally bioavailable selective estrogen receptor downregulator and antagonist
Descriptor: 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid, ESTROGEN RECEPTOR
Authors:Norman, R.A, Bradbury, R.H, de Almeida, C, Andrews, D.M, Ballard, P, Buttar, D, Callis, R.J, Currie, G.S, Curwen, J.O, Davies, C.D, de Savi, C, Donald, C.S, Feron, L.J.L, Glossop, S.C, Hayter, B.R, Karoutchi, G, Lamont, S.G, MacFaul, P, Moss, T, Pearson, S.E, Rabow, A.A, Tonge, M, Walker, G.E, Weir, H.M, Wilson, Z.
Deposit date:2015-07-28
Release date:2015-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-Fluoro-2-Methylpropyl)-3-Methyl-2, 3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Yl)Phenyl)Acrylic Acid (Azd9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.
J.Med.Chem., 58, 2015
4UBP
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BU of 4ubp by Molmil
STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOHYDROXAMIC ACID AT 1.55 A RESOLUTION
Descriptor: ACETOHYDROXAMIC ACID, NICKEL (II) ION, PROTEIN (UREASE (CHAIN A)), ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:1999-02-25
Release date:2000-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The complex of Bacillus pasteurii urease with acetohydroxamate anion from X-ray data at 1.55 A resolution.
J.Biol.Inorg.Chem., 5, 2000
1EQM
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BU of 1eqm by Molmil
CRYSTAL STRUCTURE OF BINARY COMPLEX OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE WITH ADENOSINE-5'-DIPHOSPHATE
Descriptor: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Xiao, B, Blaszczyk, J, Ji, X.
Deposit date:2000-04-05
Release date:2001-04-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Unusual conformational changes in 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as revealed by X-ray crystallography and NMR.
J.Biol.Chem., 276, 2001
5W90
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BU of 5w90 by Molmil
FEZ-1 metallo-beta-lactamase from Legionella gormanii modelled with unknown ligand
Descriptor: FEZ-1 protein, GLYCEROL, SULFATE ION, ...
Authors:Garcia-Saez, I, Mercuri, P.S, Kahn, R, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Papamicael, C, Frere, J.M, Galleni, M, Dideberg, O.
Deposit date:2017-06-22
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril.
J. Mol. Biol., 325, 2003
8TH9
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BU of 8th9 by Molmil
Structure of mammalian NEIL2 from Monodelphis domestica in complex with THF-containing DNA
Descriptor: DIMETHYL SULFOXIDE, DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3'), ...
Authors:Eckenroth, B.E, Doublie, S.
Deposit date:2023-07-14
Release date:2023-11-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural and biochemical insights into NEIL2's preference for abasic sites.
Nucleic Acids Res., 51, 2023
8TAZ
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BU of 8taz by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein bound to one mink ACE2 receptors
Descriptor: Angiotensin-converting enzyme, Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Liang, B.
Deposit date:2023-06-28
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
8T25
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BU of 8t25 by Molmil
Cryo-EM structure of the RBD-ACE2 interface of the SARS-CoV-2 trimeric spike protein bound to ACE2 receptor after local refinement at downRBD conformation.
Descriptor: Angiotensin-converting enzyme, Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
8T21
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BU of 8t21 by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein
Descriptor: Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
5WRV
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BU of 5wrv by Molmil
Complex structure of human SRP72/SRP68
Descriptor: ACETATE ION, GLYCEROL, SODIUM ION, ...
Authors:Gao, Y, Chen, Z.
Deposit date:2016-12-04
Release date:2017-06-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Human apo-SRP72 and SRP68/72 complex structures reveal the molecular basis of protein translocation
J Mol Cell Biol, 9, 2017
8T22
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BU of 8t22 by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein bound to one mink ACE2 receptors at downRBD conformation
Descriptor: Angiotensin-converting enzyme, Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.83 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
8T20
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BU of 8t20 by Molmil
Cryo-EM structure of mink variant Y453F trimeric spike protein bound to two mink ACE2 receptors
Descriptor: Angiotensin-converting enzyme, Spike glycoprotein
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
8T23
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BU of 8t23 by Molmil
Cryo-EM structure of the RBD-ACE2 interface of the SARS-CoV-2 trimeric spike protein bound to ACE2 receptor after local refinement at upRBD conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Ahn, H.M, Calderon, B, Fan, X, Gao, Y, Horgan, N, Zhou, B, Liang, B.
Deposit date:2023-06-05
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Structural basis of the American mink ACE2 binding by Y453F trimeric spike glycoproteins of SARS-CoV-2.
J Med Virol, 95, 2023
5HQ2
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BU of 5hq2 by Molmil
Structural model of Set8 histone H4 Lys20 methyltransferase bound to nucleosome core particle
Descriptor: DNA (149-MER), Guanine nucleotide exchange factor SRM1, Histone H2A, ...
Authors:Tavarekere, G, McGinty, R.K, Tan, S.
Deposit date:2016-01-21
Release date:2016-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Multivalent Interactions by the Set8 Histone Methyltransferase With Its Nucleosome Substrate.
J.Mol.Biol., 428, 2016
8SYJ
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BU of 8syj by Molmil
Structure of apurinic/apyrimidinic DNA lyase TK0353 from Thermococcus kodakarensis (Iodide crystal form)
Descriptor: GLYCEROL, IODIDE ION, SULFATE ION, ...
Authors:Eckenroth, B.E, Gardner, A.F, Doublie, S.
Deposit date:2023-05-25
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thermococcus kodakarensis TK0353 is a novel AP lyase with a new fold.
J.Biol.Chem., 300, 2023
8SPC
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BU of 8spc by Molmil
Crystal structure of the cytochrome P450 enzyme RufO
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome P450, ...
Authors:Dratch, B.D, Davis, K.M.
Deposit date:2023-05-02
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.871 Å)
Cite:Insights into Substrate Recognition by the Unusual Nitrating Enzyme RufO.
Acs Chem.Biol., 18, 2023
5WCK
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BU of 5wck by Molmil
Native FEZ-1 metallo-beta-lactamase from Legionella gormanii
Descriptor: FEZ-1 protein, GLYCEROL, SULFATE ION, ...
Authors:Garcia-Saez, I, Mercuri, P.S, Kahn, R, Papamicael, C, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Frere, J.M, Galleni, M, Dideberg, O.
Deposit date:2017-06-30
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril.
J. Mol. Biol., 325, 2003
8TUI
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BU of 8tui by Molmil
Crystal structure of Fab-Lirilumab bound to KIR2DL3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell immunoglobulin-like receptor 2DL3, Lirilumab Fab Heavy Chain, ...
Authors:Lorig-Roach, N, DuBois, R.M.
Deposit date:2023-08-16
Release date:2023-12-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for the activity and specificity of the immune checkpoint inhibitor lirilumab.
Sci Rep, 14, 2024
4UFR
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BU of 4ufr by Molmil
Structure of the ectodomain of LGR5 in complex with R-spondin-2 (Fu1Fu2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, LEUCINE-RICH REPEAT-CONTAINING G-PROTEIN COUPLED RECEPTOR 5, ...
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2015-03-18
Release date:2015-07-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of R-Spondin 2 in Complex with the Ectodomains of its Receptors Lgr5 and Znrf3.
J.Struct.Biol., 191, 2015
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
Descriptor: TNA-containing RNA oligonucleotide
Authors:Harp, J.M, Egli, M.
Deposit date:2023-04-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
8T1H
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BU of 8t1h by Molmil
Cryo-EM structure of a full-length, native Drp1 dimer
Descriptor: Dynamin-1-like protein
Authors:Rochon, K, Mears, J.A.
Deposit date:2023-06-02
Release date:2024-02-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (5.97 Å)
Cite:Structural basis for regulated assembly of the mitochondrial fission GTPase Drp1.
Nat Commun, 15, 2024
5WBX
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BU of 5wbx by Molmil
Structural insights into the potency of SK/IK channel positive modulators
Descriptor: (3Z)-6-bromo-3-(hydroxyimino)-5-methyl-1,3-dihydro-2H-indol-2-one, CALCIUM ION, Calmodulin-1, ...
Authors:Nam, Y.W, Zhang, M.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into the potency of SK channel positive modulators.
Sci Rep, 7, 2017
5WC5
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BU of 5wc5 by Molmil
Structural insights into the potency of SK/IK channel positive modulators
Descriptor: 7-fluoro-3-(hydroxyamino)-2H-indol-2-one, CALCIUM ION, Calmodulin-1, ...
Authors:Nam, Y.W, Zhang, M.
Deposit date:2017-06-29
Release date:2017-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the potency of SK channel positive modulators.
Sci Rep, 7, 2017
2REN
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BU of 2ren by Molmil
STRUCTURE OF RECOMBINANT HUMAN RENIN, A TARGET FOR CARDIOVASCULAR-ACTIVE DRUGS, AT 2.5 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RENIN
Authors:Sielecki, A.R, James, M.N.G.
Deposit date:1992-02-05
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of recombinant human renin, a target for cardiovascular-active drugs, at 2.5 A resolution.
Science, 243, 1989
1EKJ
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BU of 1ekj by Molmil
THE X-RAY CRYSTALLOGRAPHIC STRUCTURE OF BETA CARBONIC ANHYDRASE FROM THE C3 DICOT PISUM SATIVUM
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, AZIDE ION, ...
Authors:Kimber, M.S, Pai, E.F.
Deposit date:2000-03-08
Release date:2000-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The active site architecture of Pisum sativum beta-carbonic anhydrase is a mirror image of that of alpha-carbonic anhydrases.
EMBO J., 19, 2000
5WQJ
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BU of 5wqj by Molmil
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Descriptor: 2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide, SODIUM ION, Sulfurtransferase
Authors:Suwanai, Y, Toma-Fukai, S, Shimizu, T.
Deposit date:2016-11-27
Release date:2017-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Sci Rep, 7, 2017

223790

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