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7CWT
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BU of 7cwt by Molmil
SARS-CoV-2 Spike protein in complex with hb27 and fc05 Fab cocktail
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of FC05, Heavy chain Fab of HB27, ...
Authors:Cui, Z, Wang, X.
Deposit date:2020-08-31
Release date:2021-06-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
5E7Q
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BU of 5e7q by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis
Descriptor: GLYCEROL, SULFATE ION, acyl-CoA synthetase
Authors:Osipiuk, J, Cuff, M.E, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J, Ma, M, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-10-12
Release date:2015-10-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5UPT
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BU of 5upt by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP468 ligand
Descriptor: (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5UPS
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BU of 5ups by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP663 ligand
Descriptor: 5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, FORMIC ACID, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.-Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
5UPQ
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BU of 5upq by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP465 ligand
Descriptor: 5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
8CTG
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BU of 8ctg by Molmil
Extracellular architecture of an engineered canonical Wnt signaling ternary complex
Descriptor: Frizzled-8, Low-density lipoprotein receptor-related protein 6, PALMITOLEIC ACID, ...
Authors:Tsutsumi, N, Jude, K.M, Garcia, K.C.
Deposit date:2022-05-14
Release date:2023-03-15
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of the Wnt-Frizzled-LRP6 initiation complex reveals the basis for coreceptor discrimination.
Proc.Natl.Acad.Sci.USA, 120, 2023
5JD0
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BU of 5jd0 by Molmil
crystal structure of ARAP3 RhoGAP domain
Descriptor: Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3
Authors:Bao, H, Li, F, Wu, J, Shi, Y.
Deposit date:2016-04-15
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Specific Recognition of RhoA by the Dual GTPase-activating Protein ARAP3
J.Biol.Chem., 291, 2016
6XKL
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BU of 6xkl by Molmil
SARS-CoV-2 HexaPro S One RBD up
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wrapp, D, Hsieh, C.-L, Goldsmith, J.A, McLellan, J.S.
Deposit date:2020-06-26
Release date:2020-07-15
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structure-based design of prefusion-stabilized SARS-CoV-2 spikes.
Science, 369, 2020
7S85
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BU of 7s85 by Molmil
Crystal structure of CDK2 liganded with compound WN316
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-09-17
Release date:2022-09-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7RXO
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BU of 7rxo by Molmil
Crystal structure of CDK2 liganded with compound WN333
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-08-23
Release date:2022-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7S7A
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BU of 7s7a by Molmil
Crystal structure of CDK2 liganded with compound EF3019
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-09-15
Release date:2022-09-28
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
7S4T
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BU of 7s4t by Molmil
Crystal structure of CDK2 liganded with compound EF2252
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-09-09
Release date:2022-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
8WOU
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BU of 8wou by Molmil
The crystal structure of aspartate aminotransferases Lpg0070 from Legionella pneumophila
Descriptor: Aminotransferase, SULFATE ION
Authors:Gao, Y.S, Hua, L, Xie, R.
Deposit date:2023-10-07
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of an aspartate aminotransferase Lpg0070 from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 689, 2023
8HLE
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BU of 8hle by Molmil
Structure of DddY-DMSOP complex
Descriptor: 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid, DMSP lyase DddY, ZINC ION
Authors:Peng, M, Li, C.Y, Zhang, Y.Z.
Deposit date:2022-11-30
Release date:2023-10-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:DMSOP-cleaving enzymes are diverse and widely distributed in marine microorganisms.
Nat Microbiol, 8, 2023
8WKJ
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BU of 8wkj by Molmil
The crystal structure of aspartate aminotransferases Lpg0070 from Legionella pneumophila
Descriptor: Aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Gao, Y.S, Hua, L, Xie, R.
Deposit date:2023-09-27
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of an aspartate aminotransferase Lpg0070 from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 689, 2023
8WW2
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BU of 8ww2 by Molmil
GPR3/Gs complex
Descriptor: CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:He, Y, Xiong, Y.
Deposit date:2023-10-24
Release date:2024-02-14
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Identification of oleic acid as an endogenous ligand of GPR3.
Cell Res., 34, 2024
6KVA
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BU of 6kva by Molmil
Structure of anti-hCXCR2 abN48-2 in complex with its CXCR2 epitope
Descriptor: 1,2-ETHANEDIOL, Peptide from C-X-C chemokine receptor type 2, heavy chain, ...
Authors:Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
Deposit date:2019-09-03
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
6KVF
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BU of 6kvf by Molmil
Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope
Descriptor: Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain
Authors:Xiang, J.C, Yan, L, Yang, B, Wilson, I.A.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
7S84
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BU of 7s84 by Molmil
Crystal structure of CDK2 liganded with compound TW8972
Descriptor: 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
Authors:Sun, L, Schonbrunn, E.
Deposit date:2021-09-17
Release date:2022-09-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
7NS6
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BU of 7ns6 by Molmil
SARS-CoV-2 Spike (dimers) in complex with six Fu2 nanobodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fu2 nanobody, Spike glycoprotein,Fibritin, ...
Authors:Das, H, Hallberg, B.M.
Deposit date:2021-03-05
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A bispecific monomeric nanobody induces spike trimer dimers and neutralizes SARS-CoV-2 in vivo.
Nat Commun, 13, 2022
8BBL
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BU of 8bbl by Molmil
SGL a GH20 family sulfoglycosidase
Descriptor: Beta-N-acetylhexosaminidase
Authors:Dong, M.D, Roth, C.R, Jin, Y.J.
Deposit date:2022-10-13
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022
8BDP
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BU of 8bdp by Molmil
A GH20 family sulfoglycosidase Bt4394 in complex with NAG-thiazoline and sulfite
Descriptor: Beta-N-acetylhexosaminidase, CHLORIDE ION
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2022-10-19
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022
8BAL
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BU of 8bal by Molmil
Niako3494, a bacterial protein structure in glycoside hydrolase family 20
Descriptor: Beta-N-acetylhexosaminidase, ZINC ION
Authors:Dong, M.D, Roth, C.R, Jin, Y.J.
Deposit date:2022-10-11
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022
7YMH
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BU of 7ymh by Molmil
Cryo-EM structure of Nb29-alpha1AAR-miniGsq complex bound to noradrenaline
Descriptor: Nb29, Noradrenaline, alpha1A-adrenergic receptor, ...
Authors:Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
Deposit date:2022-07-28
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023
7YMJ
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BU of 7ymj by Molmil
Cryo-EM structure of alpha1AAR-Nb6 complex bound to tamsulosin
Descriptor: Nb6, Tamsulosin, alpha1A-adrenergic receptor
Authors:Toyoda, Y, Zhu, A, Yan, C, Kobilka, B.K, Liu, X.
Deposit date:2022-07-28
Release date:2023-07-05
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural basis of alpha 1A -adrenergic receptor activation and recognition by an extracellular nanobody.
Nat Commun, 14, 2023

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PDB entries from 2024-06-12

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