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6KHN
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BU of 6khn by Molmil
Crystal structure of Oryza sativa TDC with PLP and SEROTONIN
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X.
Deposit date:2019-07-16
Release date:2020-07-15
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis.
J Adv Res, 24, 2020
5U36
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BU of 5u36 by Molmil
Crystal Structure Of A Mutant M. Jannashii Tyrosyl-tRNA Synthetase
Descriptor: Tyrosine--tRNA ligase
Authors:Luo, X, Fu, G, Zhu, X, Wilson, I.A, Wang, F.
Deposit date:2016-12-01
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Genetically encoding phosphotyrosine and its nonhydrolyzable analog in bacteria.
Nat. Chem. Biol., 13, 2017
7MCF
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BU of 7mcf by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
Descriptor: 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4
Authors:Sheriff, S.
Deposit date:2021-04-02
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Development of BET inhibitors as potential treatments for cancer: A search for structural diversity.
Bioorg.Med.Chem.Lett., 44, 2021
8DY2
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BU of 8dy2 by Molmil
Crystal Structure of spFv GLK1
Descriptor: SULFATE ION, spFv GLK1 LH
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY4
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BU of 8dy4 by Molmil
Crystal Structure of spFv CAT2200 HL
Descriptor: spFv CAT2200 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY5
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BU of 8dy5 by Molmil
Crystal Structure of spFv CAT2200 LH in complex with IL-17A
Descriptor: CALCIUM ION, CHLORIDE ION, Interleukin-17A, ...
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY0
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BU of 8dy0 by Molmil
Crystal Structure of spFv GLK1 HL
Descriptor: spFv GLK1 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY3
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BU of 8dy3 by Molmil
Crystal Structure of spFv GLK2 HL
Descriptor: SULFATE ION, spFv GLK2 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.509 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY1
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BU of 8dy1 by Molmil
Crystal Structure of scFv CAT2200 LH in complex with IL-17A
Descriptor: Interleukin-17A, SULFATE ION, scFv CAT2200 LH
Authors:Luo, J, Armstrong, A.A.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
4FRS
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BU of 4frs by Molmil
Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2012-06-26
Release date:2012-08-08
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction
ACS Med Chem Lett, 3, 2012
8IIU
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BU of 8iiu by Molmil
anti-VEGF nanobody
Descriptor: SULFATE ION, anti-VEGF nanobody
Authors:Qian, F, Zhu, S.Q.
Deposit date:2023-02-24
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
8IJZ
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BU of 8ijz by Molmil
anti-VEGF mutant
Descriptor: anti-VEGF nanobody
Authors:Qian, F, Zhu, S.Q.
Deposit date:2023-02-28
Release date:2023-12-27
Last modified:2024-10-09
Method:ELECTRON CRYSTALLOGRAPHY (2.1 Å)
Cite:Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
8IJS
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BU of 8ijs by Molmil
anti-VEGF nanobody mutant
Descriptor: ZINC ION, anti-VEGF nanobody
Authors:Qian, F, Zhu, S.Q.
Deposit date:2023-02-28
Release date:2023-12-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Polymorphic nanobody crystals as long-acting intravitreal therapy for wet age-related macular degeneration.
Bioeng Transl Med, 8, 2023
1H4N
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BU of 1h4n by Molmil
H94N CARBONIC ANHYDRASE II COMPLEXED WITH TRIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONIC ANHYDRASE II, ZINC ION
Authors:Lesburg, C.A, Christianson, D.W.
Deposit date:1997-05-29
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
7MP5
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BU of 7mp5 by Molmil
Autoinhibited neurofibrobmin
Descriptor: Isoform I of Neurofibromin
Authors:Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
Deposit date:2021-05-04
Release date:2021-12-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021
7MP6
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BU of 7mp6 by Molmil
Neurofibromin homodimer
Descriptor: Isoform I of Neurofibromin
Authors:Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
Deposit date:2021-05-04
Release date:2021-12-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6.25 Å)
Cite:The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021
7MOC
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BU of 7moc by Molmil
Neurofibromin core
Descriptor: Isoform I of Neurofibromin
Authors:Lupton, C.J, Bayly-Jones, C, Ellisdon, A.M.
Deposit date:2021-05-01
Release date:2021-12-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.56 Å)
Cite:The cryo-EM structure of the human neurofibromin dimer reveals the molecular basis for neurofibromatosis type 1.
Nat.Struct.Mol.Biol., 28, 2021
1H9Q
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BU of 1h9q by Molmil
H119Q CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Lesburg, C.A, Christianson, D.W.
Deposit date:1997-05-29
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
1H9N
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BU of 1h9n by Molmil
H119N CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, ZINC ION
Authors:Lesburg, C.A, Christianson, D.W.
Deposit date:1997-05-29
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
3K9X
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BU of 3k9x by Molmil
X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
Descriptor: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
Authors:Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
Deposit date:2009-10-16
Release date:2009-12-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
3S41
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BU of 3s41 by Molmil
Glucokinase in complex with activator and glucose
Descriptor: Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ...
Authors:Liu, S.
Deposit date:2011-05-18
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011
8D0Q
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BU of 8d0q by Molmil
Human FUT9 bound to GDP-CF3-Fucose and H-Type 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kadirvelraj, R, Wood, Z.A.
Deposit date:2022-05-26
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
8D0W
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BU of 8d0w by Molmil
Human FUT9 bound to H-Type 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GLYCEROL, ...
Authors:Kadirvelraj, R, Wood, Z.A.
Deposit date:2022-05-26
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
8D0O
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BU of 8d0o by Molmil
Human alpha1,3-fucosyltransferase FUT9, heavy atom derivative
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, CESIUM ION, ...
Authors:Kadirvelraj, R, Wood, Z.A.
Deposit date:2022-05-26
Release date:2023-05-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
8D0X
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BU of 8d0x by Molmil
Human FUT9 bound to LNnT
Descriptor: 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GLYCEROL, ...
Authors:Kadirvelraj, R, Wood, Z.A.
Deposit date:2022-05-26
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023

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