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7JVA
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BU of 7jva by Molmil
SARS-CoV-2 spike in complex with the S2A4 neutralizing antibody Fab fragment (local refinement of the receptor-binding domain and Fab variable domains)
Descriptor: S2A4 Fab heavy chain, S2A4 Fab light chain, Spike glycoprotein, ...
Authors:Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
Deposit date:2020-08-20
Release date:2020-10-14
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
7K3Q
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BU of 7k3q by Molmil
An ultra-potent human neutralizing antibody locks the SARS-CoV-2 spike in the closed conformation
Descriptor: 1,2-ETHANEDIOL, Fab fragment of S2E12 monoclonal antibody, heavy chain, ...
Authors:Snell, G, Czudnochowski, N, Ng, C.
Deposit date:2020-09-12
Release date:2020-10-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
7JXD
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BU of 7jxd by Molmil
Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology
Descriptor: S2A4 antigen-binding (Fab) fragment
Authors:Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
Deposit date:2020-08-27
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
7JXE
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BU of 7jxe by Molmil
Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology
Descriptor: S2X35 antigen-binding (Fab) fragment
Authors:Tortorici, M.A, Park, Y.J, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
Deposit date:2020-08-27
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.043 Å)
Cite:Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
7JVC
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BU of 7jvc by Molmil
SARS-CoV-2 spike in complex with the S2A4 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2A4 Fab heavy chain, ...
Authors:Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
Deposit date:2020-08-20
Release date:2020-10-14
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
7JV6
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BU of 7jv6 by Molmil
SARS-CoV-2 spike in complex with the S2H13 neutralizing antibody (closed conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2H13 Fab heavy chain, ...
Authors:Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
Deposit date:2020-08-20
Release date:2020-10-14
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
6LTV
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BU of 6ltv by Molmil
Crystal Structure of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine)
Descriptor: MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ...
Authors:Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D.
Deposit date:2020-01-23
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 60, 2021
6LTW
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BU of 6ltw by Molmil
Crystal structure of Apo form of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis
Descriptor: MAGNESIUM ION, PHOSPHATE ION, S-adenosylmethionine synthase
Authors:Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D.
Deposit date:2020-01-23
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions.
Angew.Chem.Int.Ed.Engl., 60, 2021
2REW
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BU of 2rew by Molmil
Crystal Structure of PPARalpha ligand binding domain with BMS-631707
Descriptor: (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, Peroxisome proliferator-activated receptor alpha
Authors:Muckelbauer, J.
Deposit date:2007-09-27
Release date:2007-11-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Azetidinone Acids as Conformationally-Constrained Dual (alpha/gamma) PPAR Activators
To be Published
5VL7
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BU of 5vl7 by Molmil
PCSK9 complex with Fab33
Descriptor: Fab33 heavy chain, Fab33 light chain, Proprotein convertase subtilisin/kexin type 9
Authors:Eigenbrot, C, Shia, S.
Deposit date:2017-04-25
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
1HW5
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BU of 1hw5 by Molmil
THE CAP/CRP VARIANT T127L/S128A
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CATABOLITE GENE ACTIVATOR
Authors:Chu, S.Y, Tordova, M, Gilliland, G.L, Gorshkova, I, Shi, Y.
Deposit date:2001-01-09
Release date:2001-01-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The structure of the T127L/S128A mutant of cAMP receptor protein facilitates promoter site binding
J.Biol.Chem., 276, 2001
3EZA
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BU of 3eza by Molmil
COMPLEX OF THE AMINO TERMINAL DOMAIN OF ENZYME I AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE
Descriptor: HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR, PHOSPHOTRANSFERASE SYSTEM, ENZYME I
Authors:Clore, G.M, Garrett, D.S, Gronenborn, A.M.
Deposit date:1998-11-03
Release date:1999-05-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the 40,000 Mr phosphoryl transfer complex between the N-terminal domain of enzyme I and HPr.
Nat.Struct.Biol., 6, 1999
3EZB
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BU of 3ezb by Molmil
COMPLEX OF THE AMINO TERMINAL DOMAIN OF ENZYME I AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI
Descriptor: PROTEIN (PHOSPHOCARRIER PROTEIN HPR), PROTEIN (PHOSPHOTRANSFER SYSTEM, ENZYME I)
Authors:Clore, G.M, Garrett, D.S, Gronenborn, A.M.
Deposit date:1998-11-03
Release date:1999-12-16
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the 40,000 Mr phosphoryl transfer complex between the N-terminal domain of enzyme I and HPr.
Nat.Struct.Biol., 6, 1999
3EZE
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BU of 3eze by Molmil
COMPLEX OF THE AMINO TERMINAL DOMAIN OF ENZYME I AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE
Descriptor: PHOSPHITE ION, PROTEIN (PHOSPHOTRANSFERASE SYSTEM, ENZYME I), ...
Authors:Clore, G.M, Garrett, D.S, Gronenborn, A.M.
Deposit date:1998-11-04
Release date:1998-12-16
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the 40,000 Mr phosphoryl transfer complex between the N-terminal domain of enzyme I and HPr.
Nat.Struct.Biol., 6, 1999
4QT1
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BU of 4qt1 by Molmil
JAK3 kinase domain in complex with 1-[(3S)-1-isobutylsulfonyl-3-piperidyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
Descriptor: 1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2014-07-07
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Scaffold hopping towards potent and selective JAK3 inhibitors: discovery of novel C-5 substituted pyrrolopyrazines
Bioorg.Med.Chem.Lett., 24, 2014
7R9W
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BU of 7r9w by Molmil
LC3A in complex with Fragment 1-1
Descriptor: 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
Authors:Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
Deposit date:2021-06-29
Release date:2022-01-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7R9Z
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BU of 7r9z by Molmil
LC3A in complex with Fragment 2-3
Descriptor: (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
Authors:Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
Deposit date:2021-06-29
Release date:2022-01-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7RA0
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BU of 7ra0 by Molmil
LC3A in complex with Fragment 2-10
Descriptor: (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
Authors:Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
Deposit date:2021-06-29
Release date:2022-01-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
1L3P
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BU of 1l3p by Molmil
CRYSTAL STRUCTURE OF THE FUNCTIONAL DOMAIN OF THE MAJOR GRASS POLLEN ALLERGEN Phl p 5b
Descriptor: MAGNESIUM ION, PHOSPHATE ION, POLLEN ALLERGEN Phl p 5b
Authors:Rajashankar, K.R, Bufe, A, Weber, W, Eschenburg, S, Lindner, B, Betzel, C.
Deposit date:2002-02-28
Release date:2003-02-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the functional domain of the major grass-pollen allergen Phlp 5b.
Acta Crystallogr.,Sect.D, 58, 2002
2HWG
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BU of 2hwg by Molmil
Structure of phosphorylated Enzyme I of the phosphoenolpyruvate:sugar phosphotransferase system
Descriptor: MAGNESIUM ION, OXALATE ION, Phosphoenolpyruvate-protein phosphotransferase
Authors:Lim, K, Teplyakov, A, Herzberg, O.
Deposit date:2006-08-01
Release date:2006-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of phosphorylated enzyme I, the phosphoenolpyruvate:sugar phosphotransferase system sugar translocation signal protein.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6MV5
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BU of 6mv5 by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9 (E32K)
Descriptor: Anti-PCSK9 fab 6E2 heavy chain, Anti-PCSK9 fab 6E2 light chain, CHLORIDE ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.K.
Deposit date:2018-10-24
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
2EZA
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BU of 2eza by Molmil
AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI, NMR, RESTRAINED REGULARIZED MEAN STRUCTURE
Descriptor: PHOSPHOTRANSFERASE SYSTEM, ENZYME I
Authors:Clore, G.M, Tjandra, N, Garrett, D.S, Gronenborn, A.M.
Deposit date:1997-05-07
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy.
Nat.Struct.Biol., 4, 1997
2EZC
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BU of 2ezc by Molmil
AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI, NMR, 14 STRUCTURES
Descriptor: PHOSPHOTRANSFERASE SYSTEM, ENZYME I
Authors:Clore, G.M, Tjandra, N, Garrett, D.S, Gronenborn, A.M.
Deposit date:1997-05-07
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy.
Nat.Struct.Biol., 4, 1997
2EZB
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BU of 2ezb by Molmil
AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI, NMR, 14 STRUCTURES
Descriptor: PHOSPHOTRANSFERASE SYSTEM, ENZYME I
Authors:Clore, G.M, Tjandra, N, Garrett, D.S, Gronenborn, A.M.
Deposit date:1997-05-07
Release date:1997-08-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy.
Nat.Struct.Biol., 4, 1997
1J6T
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BU of 1j6t by Molmil
COMPLEX OF ENZYME IIAMTL AND THE HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR FROM ESCHERICHIA COLI NMR, RESTRAINED REGULARIZED MEAN STRUCTURE
Descriptor: PHOSPHITE ION, PTS SYSTEM, MANNITOL-SPECIFIC IIABC COMPONENT, ...
Authors:Clore, G.M, Cornilescu, G.
Deposit date:2002-08-14
Release date:2002-11-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure of the Phosphoryl Transfer Complex between the Cytoplasmic A Domain of the Mannitol Transporter IImannitol and HPr of the Escherichia coli Phosphotransferase System
J.Biol.Chem., 277, 2002

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