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5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
Descriptor: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
Authors:Mohr, C.
Deposit date:2015-11-10
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
4R9D
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BU of 4r9d by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.9, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.239 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4R9C
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BU of 4r9c by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.5, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4R9A
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BU of 4r9a by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG4000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.197 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4R9B
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BU of 4r9b by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.0, PEG 6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4RL7
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BU of 4rl7 by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.5, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-10-16
Release date:2015-03-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
5AGS
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BU of 5ags by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGT
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BU of 5agt by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
7DEO
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BU of 7deo by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ...
Authors:Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-04
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DET
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BU of 7det by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7DEU
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BU of 7deu by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv
Authors:Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y.
Deposit date:2020-11-05
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
7VK9
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BU of 7vk9 by Molmil
Crystal structure of xCas9 P411T
Descriptor: CRISPR-associated endonuclease Cas9/Csn1
Authors:Bao, R, Liu, H.Y, Luo, Y.Z, Song, Y.J.
Deposit date:2021-09-29
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and Dynamics Studies of the Spcas9 Variant Provide Insights into the Regulatory Role of the REC1 Domain
Acs Catalysis, 12, 2022
5AGR
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BU of 5agr by Molmil
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP
Descriptor: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ...
Authors:Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5B7I
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BU of 5b7i by Molmil
Cas3-AcrF3 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CRISPR-associated nuclease/helicase Cas3 subtype I-F/YPEST, ...
Authors:Wang, X, Zhu, Y.
Deposit date:2016-06-07
Release date:2016-07-06
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of Cas3 inhibition by the bacteriophage protein AcrF3
Nat.Struct.Mol.Biol., 23, 2016
7LIN
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BU of 7lin by Molmil
X-ray structure of SPOP MATH domain (D140G) in complex with a 53BP1 peptide
Descriptor: SULFATE ION, Speckle-type POZ protein, TP53-binding protein 1 peptide
Authors:Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2021-01-27
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication.
Sci Adv, 7, 2021
7LIO
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BU of 7lio by Molmil
X-ray structure of SPOP MATH domain (S119D) in complex with a 53BP1 peptide
Descriptor: Speckle-type POZ protein, TP53-binding protein 1 peptide
Authors:Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2021-01-27
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication.
Sci Adv, 7, 2021
7LIQ
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BU of 7liq by Molmil
X-ray structure of SPOP MATH domain (S119A)
Descriptor: Speckle-type POZ protein
Authors:Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2021-01-27
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication.
Sci Adv, 7, 2021
7LIP
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BU of 7lip by Molmil
X-ray structure of SPOP MATH domain (D140G)
Descriptor: SULFATE ION, Speckle-type POZ protein
Authors:Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2021-01-27
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:ATM-phosphorylated SPOP contributes to 53BP1 exclusion from chromatin during DNA replication.
Sci Adv, 7, 2021
8HAF
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BU of 8haf by Molmil
PTHrP-PTH1R-Gs complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, L, Xu, H.E, Yuan, Q.
Deposit date:2022-10-26
Release date:2022-12-21
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
8HA0
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BU of 8ha0 by Molmil
Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, L, Xu, H.E, Yuan, Q.
Deposit date:2022-10-26
Release date:2022-12-21
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
8HAO
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BU of 8hao by Molmil
Human parathyroid hormone receptor-1 dimer
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha, ...
Authors:Zhao, L, Xu, H.E, Yuan, Q.
Deposit date:2022-10-26
Release date:2022-12-21
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1.
Acta Pharmacol.Sin., 44, 2023
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:2024-07-17
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
6MIZ
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BU of 6miz by Molmil
Human TRPM2 ion channel in an ADPR-bound state
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Wang, L, Fu, T.M, Xia, S, Wu, H.
Deposit date:2018-09-20
Release date:2018-12-12
Last modified:2019-01-02
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structures and gating mechanism of human TRPM2.
Science, 362, 2018
6NW9
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BU of 6nw9 by Molmil
CRYSTAL STRUCTURE OF A TAILSPIKE PROTEIN 3 (TSP3, ORF212) FROM ESCHERICHIA COLI O157:H7 BACTERIOPHAGE CBA120
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
Authors:Greenfield, J.Y, Herzberg, O.
Deposit date:2019-02-06
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and tailspike glycosidase machinery of ORF212 from E. coli O157:H7 phage CBA120 (TSP3).
Sci Rep, 9, 2019
5ZKQ
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BU of 5zkq by Molmil
Crystal structure of the human platelet-activating factor receptor in complex with ABT-491
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, ...
Authors:Cao, C, Zhao, Q, Zhang, X.C, Wu, B.
Deposit date:2018-03-25
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for signal recognition and transduction by platelet-activating-factor receptor.
Nat. Struct. Mol. Biol., 25, 2018

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