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5HV1
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BU of 5hv1 by Molmil
Rifampin phosphotransferase in complex with AMPPNP and rifampin from Listeria monocytogenes
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphoenolpyruvate synthase, ...
Authors:Zhang, P, Qi, X.
Deposit date:2016-01-28
Release date:2016-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
6OWD
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BU of 6owd by Molmil
Arginine Containing Reengineered Coiled-Coiled Dimer to Examine the Impact of Proximal Cation Identity on Hydrophobically-Driven Assembly
Descriptor: CHLORIDE ION, R+7
Authors:Biok, N.A, Bingman, C.A, Gellman, S.H.
Deposit date:2019-05-09
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Retention of Coiled-Coil Dimer Formation in the Absence of Ion Pairing at Positions Flanking the Hydrophobic Core.
Biochemistry, 58, 2019
5HV6
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BU of 5hv6 by Molmil
The ATP binding domain of rifampin phosphotransferase from Listeria monocytogenes
Descriptor: Phosphoenolpyruvate synthase
Authors:Zhang, P, Qi, X.
Deposit date:2016-01-28
Release date:2016-03-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
5HV3
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BU of 5hv3 by Molmil
Rifampin phosphotransferase G527Y mutant in complex with AMPPNP from Listeria monocytogenes
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphoenolpyruvate synthase
Authors:Zhang, P, Qi, X.
Deposit date:2016-01-28
Release date:2016-03-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.118 Å)
Cite:Structural basis of rifampin inactivation by rifampin phosphotransferase
Proc.Natl.Acad.Sci.USA, 113, 2016
6OAZ
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BU of 6oaz by Molmil
Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J.
Deposit date:2019-03-19
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure of lipoprotein lipase in complex with GPIHBP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
5Y9P
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BU of 5y9p by Molmil
Staphylococcus aureus RNase HII
Descriptor: GLYCEROL, Ribonuclease HII
Authors:Hang, T, Wu, M, Zhang, X.
Deposit date:2017-08-26
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into a novel functional dimer of Staphylococcus aureus RNase HII
Biochem. Biophys. Res. Commun., 503, 2018
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
6KZ1
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BU of 6kz1 by Molmil
Complex structure of Whirlin and Myosin XVa
Descriptor: Myosin XVa, Whirlin
Authors:Lin, L, Wang, M, Shi, Y, Zhu, J, Zhang, R.
Deposit date:2019-09-22
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Phase separation-mediated condensation of Whirlin-Myo15-Eps8 stereocilia tip complex.
Cell Rep, 34, 2021
6RTH
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BU of 6rth by Molmil
Crystal structure of the ligand-free glycosyltransferase domain from the YGT toxin
Descriptor: RTX toxin and Ca2+-binding protein
Authors:Wirth, C, Bogdanovic, X, Kao, W.-C, Hunte, C.
Deposit date:2019-05-23
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Inverse control of Rab proteins byYersiniaADP-ribosyltransferase and glycosyltransferase related to clostridial glucosylating toxins.
Sci Adv, 6, 2020
7D8T
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BU of 7d8t by Molmil
MITF bHLHLZ complex with M-box DNA
Descriptor: DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
Authors:Guo, M, Fang, P, Wang, J.
Deposit date:2020-10-09
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.201 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8R
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BU of 7d8r by Molmil
MITF HLHLZ structure
Descriptor: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit
Authors:Guo, M, Fang, P, Wang, J.
Deposit date:2020-10-09
Release date:2021-10-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7D8S
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BU of 7d8s by Molmil
MITF bHLHLZ apo structure
Descriptor: Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit, SULFATE ION
Authors:Guo, M, Fang, P, Wang, J.
Deposit date:2020-10-09
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7DCN
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BU of 7dcn by Molmil
Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
7DCM
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BU of 7dcm by Molmil
Crystal structure of CITX
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
8FA2
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BU of 8fa2 by Molmil
Cryo-EM structure of the SARS-CoV-2 Omicron HR1-42G complex
Descriptor: Scaffolded Spike protein S2' HR1, Spike protein S2' 42G
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-11-25
Release date:2023-03-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FA1
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BU of 8fa1 by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with N969K mutation
Descriptor: Ferritin, Dps family protein and Spike protein S2' chimera, Spike protein S2' HR2
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-11-25
Release date:2023-03-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
7DLV
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BU of 7dlv by Molmil
shrimp dUTPase in complex with Stl
Descriptor: CALCIUM ION, Orf20, SULFATE ION, ...
Authors:Ma, Q, Wang, F.
Deposit date:2020-11-30
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.525 Å)
Cite:Structural basis of staphylococcal Stl inhibition on a eukaryotic dUTPase.
Int.J.Biol.Macromol., 184, 2021
5T18
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BU of 5t18 by Molmil
Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide
Descriptor: 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2016-08-18
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
J. Med. Chem., 59, 2016
8GDS
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BU of 8gds by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH 4-(4-(2-(2,3-DIHYDRO-1H- INDOL-1-YL)-2-OXOETHYL)PHENYL)-1(2H)-PHTHALAZINONE
Descriptor: 4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one, Rho-associated protein kinase 2, SULFATE ION
Authors:Muckelbauer, J.K.
Deposit date:2023-03-06
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Phthalazinone-based lactams and cyclic ureas as ROCK2 selective inhibitors.
Bioorg.Med.Chem.Lett., 88, 2023
4KB5
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BU of 4kb5 by Molmil
Crystal structure of MycP1 from Mycobacterium smegmatis
Descriptor: GLYCEROL, Membrane-anchored mycosin mycp1
Authors:Sun, D.M, He, Y, Tian, C.L.
Deposit date:2013-04-23
Release date:2014-02-05
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The putative propeptide of MycP1 in mycobacterial type VII secretion system does not inhibit protease activity but improves protein stability.
Protein Cell, 4, 2013
6RTG
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BU of 6rtg by Molmil
Crystal structure of the UDP-bound glycosyltransferase domain from the YGT toxin
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Wirth, C, Bogdanovic, X, Kao, W.-C, Hunte, C.
Deposit date:2019-05-23
Release date:2020-03-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inverse control of Rab proteins byYersiniaADP-ribosyltransferase and glycosyltransferase related to clostridial glucosylating toxins.
Sci Adv, 6, 2020
7EOD
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BU of 7eod by Molmil
MITF HLHLZ Delta AKE
Descriptor: GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor
Authors:Li, P, Liu, Z, Fang, P, Wang, J.
Deposit date:2021-04-22
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7FD2
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BU of 7fd2 by Molmil
Cryo-EM structure of an alphavirus, Getah virus
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liu, Z, Liu, C, Wang, A.
Deposit date:2021-07-15
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structure of infective Getah virus at 2.8 angstrom resolution determined by cryo-electron microscopy.
Cell Discov, 8, 2022
6LEV
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BU of 6lev by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH
Descriptor: 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-11-27
Release date:2020-12-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
7OLX
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BU of 7olx by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group
Descriptor: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
Authors:Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
Deposit date:2021-05-20
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021

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