4I8X
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![BU of 4i8x by Molmil](/molmil-images/mine/4i8x) | Crystal structure of rabbit LDHA in complex with AP27460 | Descriptor: | 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-04 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4I9N
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![BU of 4i9n by Molmil](/molmil-images/mine/4i9n) | Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 | Descriptor: | 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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5V7J
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![BU of 5v7j by Molmil](/molmil-images/mine/5v7j) | Crystal Structure at 3.7 A Resolution of Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer with Four Glycans (N197, N276, N362, and N462) removed in Complex with Neutralizing Antibodies 3H+109L and 35O22. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 35O22 Fab heavy chain, ... | Authors: | Stewart-Jones, G.B.E, Zhou, T, Kwong, P.D. | Deposit date: | 2017-03-20 | Release date: | 2017-06-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.907 Å) | Cite: | Quantification of the Impact of the HIV-1-Glycan Shield on Antibody Elicitation. Cell Rep, 19, 2017
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4I9U
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![BU of 4i9u by Molmil](/molmil-images/mine/4i9u) | Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256 | Descriptor: | 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4I9H
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![BU of 4i9h by Molmil](/molmil-images/mine/4i9h) | Crystal structure of rabbit LDHA in complex with AP28669 | Descriptor: | 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | Deposit date: | 2012-12-05 | Release date: | 2013-01-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. J.Med.Chem., 56, 2013
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4XMP
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![BU of 4xmp by Molmil](/molmil-images/mine/4xmp) | Crystal structure of broadly and potently neutralizing antibody VRC08 in complex with HIV-1 clade A strain Q842.d12 gp120 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160,Envelope glycoprotein gp160,Envelope glycoprotein gp160, ... | Authors: | Zhou, T, Srivatsan, S, Kwong, P.D. | Deposit date: | 2015-01-15 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7831 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
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4XNZ
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![BU of 4xnz by Molmil](/molmil-images/mine/4xnz) | Crystal structure of broadly and potently neutralizing antibody VRC06B in complex with HIV-1 clade A/E strain 93TH057 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160,Envelope glycoprotein gp160, ... | Authors: | Zhou, T, Srivatsan, S, Kwong, P.D. | Deposit date: | 2015-01-16 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.389 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
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4XNY
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![BU of 4xny by Molmil](/molmil-images/mine/4xny) | Crystal structure of broadly and potently neutralizing antibody VRC08C in complex with HIV-1 clade A strain Q842.d12 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160,Envelope glycoprotein gp160,Envelope glycoprotein gp160, HEAVY CHAIN OF ANTIBODY VRC08C, ... | Authors: | Zhou, T, Srivatsan, S, Kwong, P.D. | Deposit date: | 2015-01-16 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
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4JAN
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![BU of 4jan by Molmil](/molmil-images/mine/4jan) | crystal structure of broadly neutralizing antibody CH103 in complex with HIV-1 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ... | Authors: | Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D. | Deposit date: | 2013-02-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus. Nature, 496, 2013
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4JPV
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![BU of 4jpv by Molmil](/molmil-images/mine/4jpv) | Crystal structure of broadly and potently neutralizing antibody 3bnc117 in complex with hiv-1 gp120 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | Deposit date: | 2013-03-19 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.827 Å) | Cite: | Somatic Mutations of the Immunoglobulin Framework Are Generally Required for Broad and Potent HIV-1 Neutralization. Cell(Cambridge,Mass.), 153, 2013
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4J6R
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![BU of 4j6r by Molmil](/molmil-images/mine/4j6r) | Crystal structure of broadly and potently neutralizing antibody VRC23 in complex with HIV-1 gp120 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, ... | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | Deposit date: | 2013-02-11 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization. Science, 340, 2013
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7JKS
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![BU of 7jks by Molmil](/molmil-images/mine/7jks) | Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2411a in complex with HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 core, The heavy chain of antibody 2411a, ... | Authors: | Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R. | Deposit date: | 2020-07-28 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth. Immunity, 54, 2021
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7JKT
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![BU of 7jkt by Molmil](/molmil-images/mine/7jkt) | Crystal structure of vaccine-elicited broadly neutralizing VRC01-class antibody 2413a in complex with HIV-1 gp120 core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core from strain d45-01dG5, ... | Authors: | Zhou, T, Chen, X, Kwong, P.D, Mascola, J.R. | Deposit date: | 2020-07-28 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Vaccination induces maturation in a mouse model of diverse unmutated VRC01-class precursors to HIV-neutralizing antibodies with >50% breadth. Immunity, 54, 2021
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4JAM
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![BU of 4jam by Molmil](/molmil-images/mine/4jam) | Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103 | Descriptor: | 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ... | Authors: | Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D. | Deposit date: | 2013-02-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus. Nature, 496, 2013
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6MYE
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![BU of 6mye by Molmil](/molmil-images/mine/6mye) | Crystal structure of human Scribble PDZ1 domain in complex with internal PDZ binding motif of Src homology 3 domain-containing guanine nucleotide exchange factor (SGEF) | Descriptor: | FORMIC ACID, Protein scribble homolog, Rho guanine nucleotide exchange factor 26, ... | Authors: | Sun, Y.J, Hou, T, Gakhar, L, Fuentes, E.J. | Deposit date: | 2018-11-01 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | SGEF forms a complex with Scribble and Dlg1 and regulates epithelial junctions and contractility. J.Cell Biol., 218, 2019
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6MYF
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![BU of 6myf by Molmil](/molmil-images/mine/6myf) | |
7EB2
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![BU of 7eb2 by Molmil](/molmil-images/mine/7eb2) | Cryo-EM structure of human GABA(B) receptor-Gi protein complex | Descriptor: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one, Gamma-aminobutyric acid type B receptor subunit 1, Gamma-aminobutyric acid type B receptor subunit 2, ... | Authors: | Shen, C, Mao, C, Xu, C, Jin, N, Zhang, H, Shen, D, Shen, Q, Wang, X, Hou, T, Rondard, P, Chen, Z, Pin, J, Zhang, Y, Liu, J. | Deposit date: | 2021-03-08 | Release date: | 2021-05-05 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of GABA B receptor-G i protein coupling. Nature, 594, 2021
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5I8E
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![BU of 5i8e by Molmil](/molmil-images/mine/5i8e) | Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab | Descriptor: | VRC34.01 Fab heavy chain, VRC34.01 Fab light chain, ZINC ION | Authors: | Xu, K, Zhou, T, Liu, K, Kwong, P.D. | Deposit date: | 2016-02-18 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.655 Å) | Cite: | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody. Science, 352, 2016
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5I8C
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![BU of 5i8c by Molmil](/molmil-images/mine/5i8c) | Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab | Descriptor: | HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain | Authors: | Xu, K, Zhou, T, Liu, K, Kwong, P.D. | Deposit date: | 2016-02-18 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody. Science, 352, 2016
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7Y1J
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![BU of 7y1j by Molmil](/molmil-images/mine/7y1j) | Structure of SUR2A in complex with Mg-ATP and repaglinide in the inward-facing conformation. | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 9, MAGNESIUM ION, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
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7Y1L
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![BU of 7y1l by Molmil](/molmil-images/mine/7y1l) | Structure of SUR2B in complex with Mg-ATP and repaglinide in the inward-facing conformation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Isoform SUR2B of ATP-binding cassette sub-family C member 9, MAGNESIUM ION, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
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7Y1K
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![BU of 7y1k by Molmil](/molmil-images/mine/7y1k) | Structure of SUR2A in complex with Mg-ATP, Mg-ADP and repaglinide in the inward-facing conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 9, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
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7Y1M
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![BU of 7y1m by Molmil](/molmil-images/mine/7y1m) | Structure of SUR2B in complex with Mg-ATP, Mg-ADP, and repaglinide in the inward-facing conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Isoform SUR2B of ATP-binding cassette sub-family C member 9, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
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7Y1N
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![BU of 7y1n by Molmil](/molmil-images/mine/7y1n) | Structure of SUR2B in complex with Mg-ATP, Mg-ADP, and repaglinide in the partially occluded state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Isoform SUR2B of ATP-binding cassette sub-family C member 9, ... | Authors: | Chen, L, Ding, D, Hou, T. | Deposit date: | 2022-06-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | The inhibition mechanism of the SUR2A-containing K ATP channel by a regulatory helix. Nat Commun, 14, 2023
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6MX8
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![BU of 6mx8 by Molmil](/molmil-images/mine/6mx8) | Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib | Descriptor: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor | Authors: | Dougan, D.R, Zhou, T. | Deposit date: | 2018-10-30 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. J. Med. Chem., 59, 2016
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