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1RYQ
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BU of 1ryq by Molmil
Putative DNA-directed RNA polymerase, subunit e'' from Pyrococcus Furiosus Pfu-263306-001
Descriptor: DNA-directed RNA polymerase, subunit e'', ZINC ION
Authors:Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Arendall III, W.B, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-12-22
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Parameter-space screening: a powerful tool for high-throughput crystal structure determination.
Acta Crystallogr.,Sect.D, 61, 2005
7OO5
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BU of 7oo5 by Molmil
Crystal structure of the lignin peroxidase (ApeLiP) from Agrocybe pediades
Descriptor: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ...
Authors:Romero, A, Ruiz-Duenas, F.J.
Deposit date:2021-05-26
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Agaricales Mushroom Lignin Peroxidase: From Structure-Function to Degradative Capabilities.
Antioxidants, 10, 2021
7V3R
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BU of 7v3r by Molmil
Crystal structure of CMET in complex with a novel inhibitor
Descriptor: Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C.
Deposit date:2021-08-11
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
7V3S
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BU of 7v3s by Molmil
Crystal structure of CMET in complex with a novel inhibitor
Descriptor: Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C.
Deposit date:2021-08-11
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
7AEN
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BU of 7aen by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with methyl 3-O-((7-carboxy)quinolin-2-yl)-methoxy)-beta-D-galactopyranoside
Descriptor: CHLORIDE ION, GLYCEROL, Isoform 2 of Galectin-8, ...
Authors:Hassan, M, Klavern, V.S, Hakansson, M, Anderluh, M, Tomasic, T, Jakopin, Z, Nilsson, J.U, Kovacic, R, Walse, B, Diehl, C.
Deposit date:2020-09-17
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain
Acs Med.Chem.Lett., 12, 2021
7TE1
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BU of 7te1 by Molmil
SARS-CoV-2 Receptor Binding Domain in Complex with Ab17
Descriptor: Ab17 heavy chain, Ab17 light chain, Spike protein S1
Authors:Hauser, B.M, Schmidt, A.G.
Deposit date:2022-01-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Rationally designed immunogens enable immune focusing following SARS-CoV-2 spike imprinting.
Cell Rep, 38, 2022
7PG5
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BU of 7pg5 by Molmil
Crystal Structure of PI3Kalpha
Descriptor: GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.20029068 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
7PG6
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BU of 7pg6 by Molmil
Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49943733 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
6WFX
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BU of 6wfx by Molmil
Crystal structure of Fab395 in complex with NPNA2 peptide from circumsporozoite protein
Descriptor: Fab395 heavy chain, Fab395 light chain, NPNA2 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6WG0
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BU of 6wg0 by Molmil
Crystal structure of Fab366 in complex with NPNA3 peptide from circumsporozoite protein
Descriptor: Fab366 heavy chain, Fab366 light chain, NPNA3 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6WFW
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BU of 6wfw by Molmil
Crystal structure of Fab364 in complex with NPNA2 peptide from circumsporozoite protein
Descriptor: Fab364 heavy chain, Fab364 light chain, Immunoglobulin G-binding protein G, ...
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6WG2
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BU of 6wg2 by Molmil
Crystal structure of Fab239 in complex with NPNA4 peptide from circumsporozoite protein
Descriptor: Fab239 heavy chain, Fab239 light chain, NPNA4 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.534 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6WFZ
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BU of 6wfz by Molmil
Crystal structure of Fab399 in complex with NPNA3 peptide from circumsporozoite protein
Descriptor: Fab399 heavy chain, Fab399 light chain, NPNA3 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
6WFY
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BU of 6wfy by Molmil
Crystal structure of Fab224 in complex with NPNA4 peptide from circumsporozoite protein
Descriptor: Fab224 heavy chain, Fab224 light chain, NPNA4 peptide
Authors:Pholcharee, T, Oyen, D, Wilson, I.A.
Deposit date:2020-04-04
Release date:2020-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.226 Å)
Cite:Structural and biophysical correlation of anti-NANP antibodies with in vivo protection against P. falciparum.
Nat Commun, 12, 2021
4RX4
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BU of 4rx4 by Molmil
Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC134 in complex with HIV-1 clade A Q842.d12 gp120
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC134 Heavy chain, ...
Authors:Zhou, T, Acharya, P, Moquin, S, Kwong, P.D.
Deposit date:2014-12-08
Release date:2015-07-01
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
4RWY
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BU of 4rwy by Molmil
Crystal structure of VH1-46 germline-derived CD4-binding site-directed antibody 8ANC131 in complex with HIV-1 clade B YU2 gp120
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Acharya, P, Luongo, T.S, Kwong, P.D.
Deposit date:2014-12-08
Release date:2015-07-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.128 Å)
Cite:Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell(Cambridge,Mass.), 161, 2015
2KW0
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BU of 2kw0 by Molmil
Solution structure of N-terminal domain of CcmH from Escherichia.coli
Descriptor: CcmH protein
Authors:Hong, J, Zheng, X, Hu, H, Lin, D.
Deposit date:2010-03-30
Release date:2011-07-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Biochemical properties and catalytic domain structure of the CcmH protein from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2012
2JNH
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BU of 2jnh by Molmil
Solution Structure of the UBA Domain from Cbl-b
Descriptor: E3 ubiquitin-protein ligase CBL-B
Authors:Zhou, C, Zhou, Z, Lin, D, Hu, H.
Deposit date:2007-01-24
Release date:2008-02-05
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Differential ubiquitin binding of the UBA domains from human c-Cbl and Cbl-b: NMR structural and biochemical insights
Protein Sci., 17, 2008
5VB3
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BU of 5vb3 by Molmil
X-ray structure of nuclear receptor ROR-gammat Ligand Binding Domain + SRC2 peptide
Descriptor: Nuclear receptor ROR-gamma, SRC2 chimera, SODIUM ION
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VB7
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BU of 5vb7 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an agonist and SRC2 peptide
Descriptor: N-methyl-N'-(3-methylbut-2-en-1-yl)-N'-(3-phenoxyphenyl)-N-[trans-4-(pyridin-4-yl)cyclohexyl]urea, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-03-28
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
7NTB
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BU of 7ntb by Molmil
Crystal structure of human carbonic anhydrase with a benzophenone-derivative
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2021-03-09
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interaction Studies between Carbonic Anhydrase and a Sulfonamide Inhibitor by Experimental and Theoretical Approaches
Acs Med.Chem.Lett., 13, 2022
2L7W
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BU of 2l7w by Molmil
Solution structure of the human Raf-1 kinase inhibitor protein
Descriptor: Phosphatidylethanolamine-binding protein 1
Authors:Yi, C.Y.
Deposit date:2010-12-24
Release date:2012-01-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the human Raf-1 kinase inhibitor protein
To be Published
6Y6O
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BU of 6y6o by Molmil
Structure of mature activin A with small molecule 42
Descriptor: (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION
Authors:McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M.
Deposit date:2020-02-26
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
6Y6N
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BU of 6y6n by Molmil
Structure of mature activin A with small molecule 2
Descriptor: (3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION
Authors:McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M.
Deposit date:2020-02-26
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
4YDI
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BU of 4ydi by Molmil
Crystal structure of broad and potently neutralizing VRC01-class antibody Z258-VRC27.01, isolated from human donor Z258, in complex with HIV-1 gp120 from clade A strain Q23.17
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Zhou, T, Srivatsan, S, Kwong, P.D.
Deposit date:2015-02-22
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.452 Å)
Cite:Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015

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数据于2024-07-24公开中

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