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PDB: 29 results

8UKE
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BU of 8uke by Molmil
Crystal Structure of Norbelladine O-methyltransferase variant in complex with SAH
Descriptor: CALCIUM ION, Norbelladine 4'-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Kim, W, Zhang, Y.J.
Deposit date:2023-10-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biosensor and machine learning-aided engineering of an amaryllidaceae enzyme.
Nat Commun, 15, 2024
7N54
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BU of 7n54 by Molmil
Complex structure of GLAU4 with glaucine
Descriptor: GLAU4, SULFATE ION, glaucine
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N4W
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BU of 7n4w by Molmil
Complex structure of ROTU4 with rotundine
Descriptor: GLYCEROL, ROTU4, SULFATE ION, ...
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N4Z
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BU of 7n4z by Molmil
Complex structure of NOS4 with noscapine
Descriptor: NOS4, SULFATE ION, noscapine
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N53
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BU of 7n53 by Molmil
Complex structure of PAP4 with papaverine
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, GLYCEROL, PAP4, ...
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7TCL
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BU of 7tcl by Molmil
Crystal structure of P.IsnB complexed with tyrosine isonitrile
Descriptor: (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid, MANGANESE (II) ION, SULFATE ION, ...
Authors:Kim, W, Zhang, Y.
Deposit date:2021-12-26
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Elucidation of divergent desaturation pathways in the formation of vinyl isonitrile and isocyanoacrylate.
Nat Commun, 13, 2022
7SH6
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BU of 7sh6 by Molmil
Crystal structure of a PET hydrolase mutant from Ideonella Sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase, SULFATE ION
Authors:Kim, W, Zhang, Y.
Deposit date:2021-10-08
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Machine learning-aided engineering of hydrolases for PET depolymerization.
Nature, 604, 2022
3IK5
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BU of 3ik5 by Molmil
SIVmac239 Nef in complex with TCR zeta ITAM 1 polypeptide (A63-R80)
Descriptor: Protein Nef, T-cell surface glycoprotein CD3 zeta chain
Authors:Kim, W.M, Sigalov, A.B, Stern, L.J.
Deposit date:2009-08-05
Release date:2010-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pseudo-merohedral twinning and noncrystallographic symmetry in orthorhombic crystals of SIVmac239 Nef core domain bound to different-length TCRzeta fragments.
Acta Crystallogr.,Sect.D, 66, 2010
3IOZ
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BU of 3ioz by Molmil
SIVmac239 Nef in complex with a TCR zeta polypeptide DP1 (L51-D93)
Descriptor: Protein Nef, T-cell surface glycoprotein CD3 zeta chain
Authors:Kim, W.M, Sigalov, A.B, Stern, L.J.
Deposit date:2009-08-15
Release date:2010-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.699 Å)
Cite:Pseudo-merohedral twinning and noncrystallographic symmetry in orthorhombic crystals of SIVmac239 Nef core domain bound to different-length TCRzeta fragments.
Acta Crystallogr.,Sect.D, 66, 2010
8CU6
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BU of 8cu6 by Molmil
Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
Deposit date:2022-05-16
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
8CU7
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BU of 8cu7 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
Deposit date:2022-05-16
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
6XNW
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BU of 6xnw by Molmil
Crystal structure of V39A mutant of human CEACAM1
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 1, NICKEL (II) ION
Authors:Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
Deposit date:2020-07-04
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
6XNT
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BU of 6xnt by Molmil
Crystal structure of I91A mutant of human CEACAM1
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 1, octyl beta-D-glucopyranoside
Authors:Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
Deposit date:2020-07-04
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
6XNO
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BU of 6xno by Molmil
Crystal structure of E99A mutant of human CEACAM1
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID, octyl beta-D-glucopyranoside
Authors:Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
Deposit date:2020-07-03
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
6XO1
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BU of 6xo1 by Molmil
Crystal structure of N97A mutant of human CEACAM1
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 1, MALONIC ACID
Authors:Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Bonsor, D, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
Deposit date:2020-07-05
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Structural basis of the dynamic human CEACAM1 monomer-dimer equilibrium.
Commun Biol, 4, 2021
7RPP
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BU of 7rpp by Molmil
Crystal structure of human CEACAM1 with GFCC' and ABED face
Descriptor: 1,2-ETHANEDIOL, Carcinoembryonic antigen-related cell adhesion molecule 1
Authors:Gandhi, A.K, Kim, W.M, Sun, Z.-Y, Huang, Y.H, Petsko, G.A, Blumberg, R.S.
Deposit date:2021-08-04
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of human CEACAM1 oligomerization.
Commun Biol, 5, 2022
7VCJ
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BU of 7vcj by Molmil
Arginine kinase H227A from Daphnia magna
Descriptor: Arginine kinase, NITRATE ION, PHOSPHATE ION
Authors:Kim, D.S, Jang, K, Kim, W.S, Kim, Y.J, Park, J.H.
Deposit date:2021-09-03
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of H227A Mutant of Arginine Kinase in Daphnia magna Suggests the Importance of Its Stability.
Molecules, 27, 2022
6OKC
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BU of 6okc by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-12
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OKG
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BU of 6okg by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-12
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OLT
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BU of 6olt by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-17
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6OKF
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BU of 6okf by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ...
Authors:Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P.
Deposit date:2019-04-12
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
6DHB
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BU of 6dhb by Molmil
Crystal structure of the human TIM-3 with bound Calcium
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, CALCIUM ION, ...
Authors:Gandhi, A.K, Kim, W.M, Huang, Y.H, Bonsor, D, Sundberg, E, Sun, Z.-Y, Petsko, G.A, Kuchroo, V, Blumberg, R.S.
Deposit date:2018-05-19
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High resolution X-ray and NMR structural study of human T-cell immunoglobulin and mucin domain containing protein-3.
Sci Rep, 8, 2018
1JI7
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BU of 1ji7 by Molmil
Crystal Structure of TEL SAM Polymer
Descriptor: ETS-RELATED PROTEIN TEL1, SULFATE ION
Authors:Kim, C.A, Phillips, M.L, Kim, W, Gingery, M, Tran, H.H, Robinson, M.A, Faham, S, Bowie, J.U.
Deposit date:2001-06-29
Release date:2002-07-03
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Polymerization of the SAM domain of TEL in leukemogenesis and transcriptional repression.
EMBO J., 20, 2001
1PK1
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BU of 1pk1 by Molmil
Hetero SAM domain structure of Ph and Scm.
Descriptor: Polyhomeotic-proximal chromatin protein, Sex comb on midleg CG9495-PA
Authors:Kim, C.A, Sawaya, M.R, Cascio, D, Kim, W, Bowie, J.U.
Deposit date:2003-06-04
Release date:2005-02-15
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural organization of a Sex-comb-on-midleg/polyhomeotic copolymer.
J.Biol.Chem., 280, 2005
1PK3
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BU of 1pk3 by Molmil
Scm SAM domain
Descriptor: BETA-MERCAPTOETHANOL, Sex comb on midleg CG9495-PA
Authors:Kim, C.A, Sawaya, M.R, Cascio, D, Kim, W, Bowie, J.U.
Deposit date:2003-06-04
Release date:2005-02-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural organization of a Sex-comb-on-midleg/polyhomeotic copolymer.
J.Biol.Chem., 280, 2005

 

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