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8HDV
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BU of 8hdv by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8HDU
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BU of 8hdu by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8HFS
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BU of 8hfs by Molmil
The structure of LcnA, LciA, and the man-PTS of Lactococcus lactis
Descriptor: Bacteriocin lactococcin-A, Lactococcin-A immunity protein, Mannose-specific PTS system, ...
Authors:Wang, J.W.
Deposit date:2022-11-12
Release date:2023-02-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural Basis of the Mechanisms of Action and Immunity of Lactococcin A, a Class IId Bacteriocin.
Appl.Environ.Microbiol., 89, 2023
8H3J
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BU of 8h3j by Molmil
Crystal Structure of Pathogenesis-related Protein HcPR10 from Halostachys caspica in complex with trans-Zeatin-riboside
Descriptor: N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, PR10
Authors:Wang, Z, Ren, Y.
Deposit date:2022-10-08
Release date:2023-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Halostachys caspica pathogenesis-related protein 10 acts as a cytokinin reservoir to regulate plant growth and development.
Front Plant Sci, 14, 2023
8H3I
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BU of 8h3i by Molmil
Crystal Structure of the apo-form Pathogenesis-related Protein HcPR10 from Halostachys caspica
Descriptor: PR10
Authors:Wang, Z, Ren, Y.
Deposit date:2022-10-08
Release date:2023-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Halostachys caspica pathogenesis-related protein 10 acts as a cytokinin reservoir to regulate plant growth and development.
Front Plant Sci, 14, 2023
7B38
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BU of 7b38 by Molmil
Torpedo californica acetylcholinesterase complexed with Mg+2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L.
Deposit date:2020-11-29
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
7B2W
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BU of 7b2w by Molmil
Torpedo californica acetylcholinesterase complexed with UO2
Descriptor: Acetylcholinesterase, URANYL (VI) ION
Authors:Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L.
Deposit date:2020-11-28
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
7RCO
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BU of 7rco by Molmil
Crystal structure of human TGF-beta-2 bound to 4A11.V2 Fab
Descriptor: 4A11.V2 Fab Heavy Chain, 4A11.V2 Fab Light Chain, Transforming growth factor beta-2
Authors:Yin, J, Lupardus, P.J, Sudhamsu, J.
Deposit date:2021-07-07
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dramatic activation of an antibody by a single amino acid change in framework.
Sci Rep, 11, 2021
7ALZ
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BU of 7alz by Molmil
GqqA- a novel type of quorum quenching acylases
Descriptor: PHENYLALANINE, Prephenate dehydratase
Authors:Werner, N, Betzel, C.
Deposit date:2020-10-07
Release date:2021-08-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
7AM0
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BU of 7am0 by Molmil
GqqA- a novel type of quorum quenching acylases
Descriptor: PHENYLALANINE, Prephenate dehydratase
Authors:Werner, N, Betzel, C.
Deposit date:2020-10-07
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
7ZKS
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BU of 7zks by Molmil
SRPK1 IN COMPLEX WITH INHIBITOR
Descriptor: CHLORIDE ION, N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide, SRSF protein kinase 1
Authors:Graedler, U.
Deposit date:2022-04-13
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
J.Med.Chem., 66, 2023
7B8E
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BU of 7b8e by Molmil
Torpedo californica acetylcholinesterase complexed with Ca+2
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L.
Deposit date:2020-12-12
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
7BBR
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BU of 7bbr by Molmil
Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T
Descriptor: 2-KETO-3-DEOXYGLUCONATE, Putative TRAP transporter solute receptor DctP
Authors:Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A.
Deposit date:2020-12-18
Release date:2021-03-24
Last modified:2021-08-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
7BCP
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BU of 7bcp by Molmil
Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with gluconate
Descriptor: D-gluconic acid, Putative TRAP transporter solute receptor DctP
Authors:Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A.
Deposit date:2020-12-21
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
7BCN
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BU of 7bcn by Molmil
Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with Xylonic acid
Descriptor: D-xylonic acid, Putative TRAP transporter solute receptor DctP
Authors:Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A.
Deposit date:2020-12-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
7BCO
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BU of 7bco by Molmil
Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with D-foconate
Descriptor: (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid, Putative TRAP transporter solute receptor DctP
Authors:Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A.
Deposit date:2020-12-21
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
7BCR
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BU of 7bcr by Molmil
Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with galactonate
Descriptor: L-galactonic acid, Putative TRAP transporter solute receptor DctP
Authors:Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A.
Deposit date:2020-12-21
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
8F5T
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BU of 8f5t by Molmil
Rabbit muscle pyruvate kinase in complex with sodium and magnesium
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2022-11-15
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
8F6M
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BU of 8f6m by Molmil
Complex of Rabbit muscle pyruvate kinase with ADP and the phosphonate analogue of PEP mimicking the Michaelis complex.
Descriptor: (E)-2-METHYL-3-PHOSPHONOACRYLATE, ADENOSINE-5'-DIPHOSPHATE, ALANINE, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2022-11-16
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
8F5U
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BU of 8f5u by Molmil
Rabbit muscle pyruvate kinase in complex with magnesium, potassium and pyruvate
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2022-11-15
Release date:2023-05-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes.
Database (Oxford), 2023, 2023
6OZ4
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BU of 6oz4 by Molmil
Crystal structure of broadly neutralizing antibody N49P6 Fab in complex with HIV-1 BG505 SOSIP.664 Env trimer ectodomain.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2019-05-15
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.05 Å)
Cite:Near-Pan-neutralizing, Plasma Deconvoluted Antibody N49P6 Mimics Host Receptor CD4 in Its Quaternary Interactions with the HIV-1 Envelope Trimer.
Mbio, 2021
6OZ2
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BU of 6oz2 by Molmil
Crystal structure of the broadly neutralizing antibody N49P6 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N49P6 antibody Fab heavy chain, N49P6 antibody Fab light chain, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2019-05-15
Release date:2020-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Near-Pan-neutralizing, Plasma Deconvoluted Antibody N49P6 Mimics Host Receptor CD4 in Its Quaternary Interactions with the HIV-1 Envelope Trimer.
Mbio, 2021
6MKM
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BU of 6mkm by Molmil
Crystallographic solvent mapping analysis of DMSO/Tris bound to APE1
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ...
Authors:Georgiadis, M.M, He, H, Chen, Q.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
6MK3
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BU of 6mk3 by Molmil
Crystallographic solvent mapping analysis of DMSO bound to APE1
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase
Authors:Georgiadis, M.M, He, H, Chen, Q.
Deposit date:2018-09-24
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
6MKO
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Crystallographic solvent mapping analysis of glycerol bound to APE1
Descriptor: DNA-(apurinic or apyrimidinic site) lyase, GLYCEROL
Authors:Georgiadis, M.M, He, H, Chen, Q.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019

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PDB entries from 2024-06-12

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