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3HJD
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BU of 3hjd by Molmil
X-ray structure of monomeric variant of HNP1
Descriptor: Human neutrophil peptide 1
Authors:Lubkowski, J, Pazgier, M, Lu, W.
Deposit date:2009-05-21
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:What Dictates the Multifaced Functions of the Human alpha-Defensin HNP?
To be Published
5EAK
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BU of 5eak by Molmil
Optimization of Microtubule Affinity Regulating Kinase (MARK) Inhibitors with Improved Physical Properties
Descriptor: N-[(1S,2R)-2-aminocyclohexyl]-4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide, Serine/threonine-protein kinase MARK2
Authors:Su, H.P.
Deposit date:2015-10-16
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Optimization of microtubule affinity regulating kinase (MARK) inhibitors with improved physical properties.
Bioorg.Med.Chem.Lett., 26, 2016
7DVB
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BU of 7dvb by Molmil
D335N variant of Bt4394 in complex with 6SO3-NAG-oxazoline intermediate
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-13
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
7DVA
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BU of 7dva by Molmil
Structure of wild type Bt4394, a GH20 family sulfoglycosidase, in complex with 6S-GlcNAc
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-13
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
7DUP
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BU of 7dup by Molmil
Apo structure of wild type Bt4394, a GH20 family sulfoglycosidase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-10
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
3SLU
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BU of 3slu by Molmil
Crystal structure of NMB0315
Descriptor: M23 peptidase domain protein, NICKEL (II) ION
Authors:Shen, Y, Wang, X, Yang, X, Xu, H.
Deposit date:2011-06-26
Release date:2012-02-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal structure of outer membrane protein NMB0315 from Neisseria meningitidis.
Plos One, 6, 2011
3STO
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BU of 3sto by Molmil
Serpin from the trematode Schistosoma Haematobium
Descriptor: Serine protease inhibitor
Authors:Granzin, J, Weiergraeber, O.H, Lee, X, Blanton, R.E.
Deposit date:2011-07-11
Release date:2012-05-30
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Three-dimensional structure of a schistosome serpin revealing an unusual configuration of the helical subdomain.
Acta Crystallogr.,Sect.D, 68, 2012
3V6O
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BU of 3v6o by Molmil
Leptin Receptor-antibody complex
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Carpenter, B, Hemsworth, G.R, Ross, R.J, Artymiuk, P.J.
Deposit date:2011-12-20
Release date:2012-03-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the human obesity receptor leptin-binding domain reveals the mechanism of leptin antagonism by a monoclonal antibody.
Structure, 20, 2012
3VG0
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BU of 3vg0 by Molmil
Antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Monoclonal antibody 9F8 Fab fragment H chain, ...
Authors:Carpenter, B, Hemsworth, G.R, Ross, R.J, Artymiuk, P.J.
Deposit date:2012-01-10
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure of the human obesity receptor leptin-binding domain reveals the mechanism of leptin antagonism by a monoclonal antibody.
Structure, 20, 2012
3ZNS
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BU of 3zns by Molmil
HDAC7 bound with TFMO inhibitor tmp942
Descriptor: HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
Authors:Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2013-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
3ZNR
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BU of 3znr by Molmil
HDAC7 bound with inhibitor TMP269
Descriptor: HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
Authors:Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2013-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
5XGV
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BU of 5xgv by Molmil
The structure of Diels-Alderase PyrE3 in the biosynthetic pathway of pyrroindomycins
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, PyrE3
Authors:Pan, L, Gong, Y, Guo, Y.
Deposit date:2017-04-18
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural Insights into a Flavin-Dependent [4 + 2] Cyclase that Catalyzes trans-Decalin Formation in Pyrroindomycin Biosynthesis.
Cell Chem Biol, 25, 2018
7D59
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BU of 7d59 by Molmil
cryo-EM structure of human RNA polymerase III in apo state
Descriptor: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
Authors:Wang, Q, Wan, F, Lan, P, Wu, J, Lei, M.
Deposit date:2020-09-25
Release date:2021-02-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into transcriptional regulation of human RNA polymerase III.
Nat.Struct.Mol.Biol., 28, 2021
7D58
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BU of 7d58 by Molmil
cryo-EM structure of human RNA polymerase III in elongating state
Descriptor: DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ...
Authors:Wang, Q, Wan, F, Lan, P, Wu, J, Lei, M.
Deposit date:2020-09-25
Release date:2021-02-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into transcriptional regulation of human RNA polymerase III.
Nat.Struct.Mol.Biol., 28, 2021
7FDL
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BU of 7fdl by Molmil
Crystal structure of transcription factor WER in complex with EGL3
Descriptor: Transcription factor EGL1, Transcription factor WER
Authors:Luo, Q, Wang, B.
Deposit date:2021-07-17
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.897 Å)
Cite:Structural insights into partner selection for MYB and bHLH transcription factor complexes.
Nat.Plants, 8, 2021
7FDN
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BU of 7fdn by Molmil
Crystal structure of transcription factor WER in complex with EGL3
Descriptor: CHLORIDE ION, GLYCEROL, SODIUM ION, ...
Authors:Luo, Q, Wang, B.
Deposit date:2021-07-17
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into partner selection for MYB and bHLH transcription factor complexes.
Nat.Plants, 8, 2021
7FDO
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BU of 7fdo by Molmil
Crystal structure of transcription factor CPC in complex with EGL3
Descriptor: CHLORIDE ION, SULFATE ION, Transcription factor CPC, ...
Authors:Wang, B, Luo, Q.
Deposit date:2021-07-17
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structural insights into partner selection for MYB and bHLH transcription factor complexes.
Nat.Plants, 8, 2021
7FDM
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BU of 7fdm by Molmil
Crystal structure of transcription factor MYB29 in complex with MYC3
Descriptor: Transcription factor MYB29, Transcription factor MYC3
Authors:Luo, Q, Wang, B.
Deposit date:2021-07-17
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into partner selection for MYB and bHLH transcription factor complexes.
Nat.Plants, 8, 2021
7LZ8
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BU of 7lz8 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5t
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2021-03-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
7LZ7
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BU of 7lz7 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5k
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2021-03-09
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
7EN7
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BU of 7en7 by Molmil
The crystal structure of Escherichia coli MurR in complex with N-acetylmuramic-acid-6-phosphate
Descriptor: (2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid, HTH-type transcriptional regulator MurR
Authors:Zhang, Y, Chen, W, Ji, Q.
Deposit date:2021-04-16
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Molecular basis for cell-wall recycling regulation by transcriptional repressor MurR in Escherichia coli.
Nucleic Acids Res., 50, 2022
7EN5
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BU of 7en5 by Molmil
The crystal structure of Escherichia coli MurR in complex with N-acetylglucosamine-6-phosphate
Descriptor: 2-METHOXYETHANOL, 2-acetamido-2-deoxy-6-O-phosphono-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zhang, Y, Chen, W, Ji, Q.
Deposit date:2021-04-16
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular basis for cell-wall recycling regulation by transcriptional repressor MurR in Escherichia coli.
Nucleic Acids Res., 50, 2022
7EN6
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BU of 7en6 by Molmil
The crystal structure of Escherichia coli MurR in apo form
Descriptor: HTH-type transcriptional regulator MurR, PHOSPHATE ION
Authors:Zhang, Y, Chen, W, Ji, Q.
Deposit date:2021-04-16
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.276 Å)
Cite:Molecular basis for cell-wall recycling regulation by transcriptional repressor MurR in Escherichia coli.
Nucleic Acids Res., 50, 2022
6JK8
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BU of 6jk8 by Molmil
Cryo-EM structure of the full-length human IGF-1R in complex with insulin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, ...
Authors:Zhang, X, Yu, D, Wang, T.
Deposit date:2019-02-27
Release date:2020-03-04
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis.
Structure, 28, 2020
8BDP
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BU of 8bdp by Molmil
A GH20 family sulfoglycosidase Bt4394 in complex with NAG-thiazoline and sulfite
Descriptor: Beta-N-acetylhexosaminidase, CHLORIDE ION
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2022-10-19
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 2022

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