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7ARM
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BU of 7arm by Molmil
LolCDE in complex with lipoprotein and LolA
Descriptor: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ...
Authors:Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Shen, C.R, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Wei, X.W, Dong, C.J, Zhang, X, Dong, H.H.
Deposit date:2020-10-25
Release date:2021-04-07
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
7ARL
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BU of 7arl by Molmil
LolCDE in complex with lipoprotein and ADP
Descriptor: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, ADENOSINE-5'-DIPHOSPHATE, LPP, ...
Authors:Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Shen, C.R, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Wei, X.W, Dong, C.J, Zhang, X, Dong, H.H.
Deposit date:2020-10-25
Release date:2021-04-07
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
7ARK
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BU of 7ark by Molmil
LolCDE in complex with AMP-PNP in the closed NBD state
Descriptor: Lipoprotein-releasing ABC transporter permease subunit LolC, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolE, ...
Authors:Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
Deposit date:2020-10-25
Release date:2021-04-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
7ARJ
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BU of 7arj by Molmil
LolCDE in complex with lipoprotein and AMPPNP complex undimerized form
Descriptor: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ...
Authors:Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
Deposit date:2020-10-25
Release date:2021-04-07
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
7ARI
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BU of 7ari by Molmil
LolCDE apo structure
Descriptor: Lipoprotein-releasing ABC transporter permease subunit LolC, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolE
Authors:Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
Deposit date:2020-10-25
Release date:2021-04-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
7ARH
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BU of 7arh by Molmil
LolCDE in complex with lipoprotein
Descriptor: (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ...
Authors:Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H.
Deposit date:2020-10-25
Release date:2021-04-07
Last modified:2021-04-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
2FH7
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BU of 2fh7 by Molmil
Crystal structure of the phosphatase domains of human PTP SIGMA
Descriptor: Receptor-type tyrosine-protein phosphatase S
Authors:Alvarado, J, Udupi, R, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Rooney, I, Maletic, M, Bain, K.T, Freeman, J.C, Russell, M, Thompson, D.A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2005-12-23
Release date:2006-01-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
7QNY
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BU of 7qny by Molmil
The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-12-23
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
7BP3
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BU of 7bp3 by Molmil
Cryo-EM structure of the human MCT2
Descriptor: Monocarboxylate transporter 2
Authors:Zhang, B, Jin, Q, Zhang, X, Guo, J, Ye, S.
Deposit date:2020-03-21
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cooperative transport mechanism of human monocarboxylate transporter 2.
Nat Commun, 11, 2020
8JZS
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BU of 8jzs by Molmil
Outward-facing SLC15A4 dimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, lysosomal transporter
Authors:Zhang, S.S, Chen, X.D, Xie, M.
Deposit date:2023-07-06
Release date:2023-09-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JZU
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BU of 8jzu by Molmil
SLC15A4_TASL complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, TLR adapter,Green fluorescent protein, TSLAA-EGPF tag fusion protein
Authors:Zhang, S.S, Chen, X.D, Xie, M.
Deposit date:2023-07-06
Release date:2023-09-27
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JZR
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BU of 8jzr by Molmil
Outward_facing SLC15A4 monomer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, lysosomal transporter,ALFA tag
Authors:Zhang, S.S, Chen, X.D, Xie, M.
Deposit date:2023-07-06
Release date:2023-09-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
6G5G
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BU of 6g5g by Molmil
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
Deposit date:2018-03-29
Release date:2019-01-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6G5F
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BU of 6g5f by Molmil
Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1
Descriptor: Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ...
Authors:Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
Deposit date:2018-03-29
Release date:2019-01-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
6G5K
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BU of 6g5k by Molmil
Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1
Descriptor: Botulinum neurotoxin type B, Synaptotagmin-1
Authors:Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P.
Deposit date:2018-03-29
Release date:2019-01-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
5VLR
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BU of 5vlr by Molmil
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR
Descriptor: 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Sack, J.S.
Deposit date:2017-04-26
Release date:2017-06-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders.
J. Med. Chem., 60, 2017
2HHL
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BU of 2hhl by Molmil
Crystal structure of the human small CTD phosphatase 3 isoform 1
Descriptor: 12-TUNGSTOPHOSPHATE, CTD small phosphatase-like protein
Authors:Malashkevich, V.N, Toro, R, Ramagopal, U, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-06-28
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
6UKB
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BU of 6ukb by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
Descriptor: Glutaminase kidney isoform, mitochondrial, N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
Authors:Huang, Q, Cerione, R.A.
Deposit date:2019-10-04
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human GAC in complex with inhibitor UPGL00020
To Be Published
2I1Y
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BU of 2i1y by Molmil
Crystal structure of the phosphatase domain of human PTP IA-2
Descriptor: GLYCEROL, Receptor-type tyrosine-protein phosphatase
Authors:Faber-Barata, J, Patskovsky, Y, Alvarado, J, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Maletic, M, Rooney, I, Bain, K.T, Freeman, M, Russell, J.C, Thompson, D.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-08-15
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
2YIX
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BU of 2yix by Molmil
Triazolopyridine Inhibitors of p38
Descriptor: 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M.
Deposit date:2011-05-17
Release date:2011-11-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 54, 2011
6ULJ
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BU of 6ulj by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
Descriptor: 2-phenyl-N-{6-[4-({6-[(phenylacetyl)amino]pyridazin-3-yl}oxy)piperidin-1-yl]pyridazin-3-yl}acetamide, Glutaminase kidney isoform, mitochondrial
Authors:Huang, Q, Cerione, R.A.
Deposit date:2019-10-08
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Crystal structure of human GAC in complex with inhibitor UPGL00045
To Be Published
6UK6
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BU of 6uk6 by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00018
Descriptor: 5-{4-[(5-amino-1,3,4-thiadiazol-2-yl)oxy]piperidin-1-yl}-1,3,4-thiadiazol-2-amine, Glutaminase kidney isoform, mitochondrial
Authors:Huang, Q, Cerione, R.A.
Deposit date:2019-10-04
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of human GAC in complex with inhibitor UPGL00018
To Be Published
2IRM
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BU of 2irm by Molmil
Crystal structure of mitogen-activated protein kinase kinase kinase 7 interacting protein 1 from Anopheles gambiae
Descriptor: mitogen-activated protein kinase kinase kinase 7 interacting protein 1
Authors:Jin, X, Bonanno, J.B, Pelletier, L, Freeman, J.C, Wasserman, S, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-10-15
Release date:2006-11-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
2IQ1
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BU of 2iq1 by Molmil
Crystal structure of human PPM1K
Descriptor: MAGNESIUM ION, Protein phosphatase 2C kappa, PPM1K
Authors:Bonanno, J.B, Freeman, J, Russell, M, Bain, K.T, Adams, J, Pelletier, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-10-12
Release date:2006-11-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
6XER
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BU of 6xer by Molmil
Tubulin-RB3_SLD in complex with colchicine
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-06-13
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design, Synthesis, and Biological Evaluation of Stable Colchicine-Binding Site Tubulin Inhibitors 6-Aryl-2-benzoyl-pyridines as Potential Anticancer Agents.
J.Med.Chem., 64, 2021

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