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5DSK
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BU of 5dsk by Molmil
Structure of CO2 released holo-form of human carbonic anhydrase II with 3 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSQ
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BU of 5dsq by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 3 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSM
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BU of 5dsm by Molmil
Structure of CO2 released holo-form of human carbonic anhydrase II with 25 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSR
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BU of 5dsr by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 10 min warming
Descriptor: Carbonic anhydrase 2, GLYCEROL
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4XG8
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BU of 4xg8 by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: 1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2014-12-30
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
5GHV
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BU of 5ghv by Molmil
Crystal structure of an inhibitor-bound Syk
Descriptor: 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
Deposit date:2016-06-20
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
5DSP
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BU of 5dsp by Molmil
Structure of CO2 released apo-form of human carbonic anhydrase II with 40 sec warming
Descriptor: Carbonic anhydrase 2, GLYCEROL
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
7PQW
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BU of 7pqw by Molmil
NMR solution structure of BCR4
Descriptor: BCR4
Authors:Loth, K, Paquet, F.
Deposit date:2021-09-20
Release date:2022-09-28
Last modified:2024-06-05
Method:SOLUTION NMR
Cite:Aphid BCR4 Structure and Activity Uncover a New Defensin Peptide Superfamily.
Int J Mol Sci, 23, 2022
6KUU
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BU of 6kuu by Molmil
Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B3)
Descriptor: 3'-vRNA, 5'-vRNA, Polymerase 3, ...
Authors:Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
Deposit date:2019-09-02
Release date:2019-12-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of influenza D virus polymerase bound to vRNA promoter in Mode B conformation (Class B3)
To Be Published
5F9W
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BU of 5f9w by Molmil
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of CH235-lineage antibody CH235, Light chain of CH235-lineage antibody CH235, ...
Authors:Chen, L, Zhou, T, Kwong, P.D.
Deposit date:2015-12-10
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8911 Å)
Cite:Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
5WRN
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BU of 5wrn by Molmil
Human thymidylate synthase complexed with dCMP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Nordlund, P.
Deposit date:2016-12-02
Release date:2016-12-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Human thymidylate synthase complexed with dCMP
To Be Published
5F96
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BU of 5f96 by Molmil
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235.12 in complex with HIV-1 clade A/E 93TH057 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY CH235.12, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2015-12-09
Release date:2016-03-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2407 Å)
Cite:Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
8BVB
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BU of 8bvb by Molmil
Crystal structure of the apo form of SmbA loop deletion mutant.
Descriptor: Aldo_ket_red domain-containing protein
Authors:Dubey, B.N, Schirmer, T.
Deposit date:2022-12-02
Release date:2023-01-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mutant structure of metabolic switch protein in complex with monomeric c-di-GMP reveals a potential mechanism of protein-mediated ligand dimerization.
Sci Rep, 13, 2023
8QFZ
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BU of 8qfz by Molmil
TSLP-Bicycle complex
Descriptor: 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, CYS-HIS-TRP-LEU-GLU-ASN-CYS-TRP-ARG-GLY-PHE-CYS, Thymic stromal lymphopoietin
Authors:Petersen, J.
Deposit date:2023-09-05
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin.
J.Med.Chem., 67, 2024
5DSO
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BU of 5dso by Molmil
Structure of CO2 bound apo-form of human carbonic anhydrase II with 0 sec (no) warming
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2015-09-17
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5YUK
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BU of 5yuk by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2017-11-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5YUI
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BU of 5yui by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Descriptor: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2017-11-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5F9O
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BU of 5f9o by Molmil
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235.09 in complex with HIV-1 clade A/E 93TH057 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CH235.09 Light chain, ...
Authors:Joyce, M.G, Mascola, J.R, Kwong, P.D.
Deposit date:2015-12-10
Release date:2016-03-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
5YUJ
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BU of 5yuj by Molmil
CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION
Authors:Kim, C.U, Park, S.Y, McKenna, R.
Deposit date:2017-11-22
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5Z0Q
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BU of 5z0q by Molmil
Crystal Structure of OvoB
Descriptor: Aminotransferase, class I and II, PYRIDOXAL-5'-PHOSPHATE
Authors:Cai, Y.J, Huang, P, Wu, L, Zhou, J.H, Liu, P.H.
Deposit date:2017-12-20
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:In Vitro Reconstitution of the Remaining Steps in Ovothiol A Biosynthesis: C-S Lyase and Methyltransferase Reactions.
Org. Lett., 20, 2018
6T5J
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BU of 6t5j by Molmil
Structure of NUDT15 in complex with inhibitor TH1760
Descriptor: 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Carter, M, Rehling, D, Desroses, M, Zhang, S.M, Hagenkort, A, Valerie, N.C.K, Helleday, T, Stenmark, P.
Deposit date:2019-10-16
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a chemical probe against NUDT15.
Nat.Chem.Biol., 16, 2020
9FZA
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BU of 9fza by Molmil
TEAD1/YAP in complex with a reversible inhibitor N-[(4-phenoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
Descriptor: CHLORIDE ION, Transcriptional coactivator YAP1, Transcriptional enhancer factor TEF-1, ...
Authors:Musil, D, Freire, F.
Deposit date:2024-07-04
Release date:2024-10-16
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Discovery of reversible and covalent TEAD 1 selective inhibitors MSC-1254 and MSC-5046 based on one scaffold.
Bioorg.Med.Chem.Lett., 2024
4N1U
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BU of 4n1u by Molmil
Structure of human MTH1 in complex with TH588
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION
Authors:Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P.
Deposit date:2013-10-04
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
7TNC
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BU of 7tnc by Molmil
M13F/G116F Pseudomonas aeruginosa azurin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, CHLORIDE ION, ...
Authors:Liu, Y, Lu, Y.
Deposit date:2022-01-20
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural Basis for the Effects of Phenylalanine on Tuning the Reduction Potential of Type 1 Copper in Azurin.
Inorg.Chem., 62, 2023
7U2F
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BU of 7u2f by Molmil
G116F Pseudomonas aeruginosa azurin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Liu, Y, Lu, Y.
Deposit date:2022-02-23
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Effects of Phenylalanine on Tuning the Reduction Potential of Type 1 Copper in Azurin.
Inorg.Chem., 62, 2023

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PDB entries from 2024-10-16

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