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4ZRI
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BU of 4zri by Molmil
Crystal structure of Merlin-FERM and Lats2
Descriptor: Merlin, Serine/threonine-protein kinase LATS2
Authors:Li, F, Zhou, H, Long, J, Shen, Y.
Deposit date:2015-05-12
Release date:2015-06-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Angiomotin binding-induced activation of Merlin/NF2 in the Hippo pathway
Cell Res., 25, 2015
1A2A
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BU of 1a2a by Molmil
AGKISTROTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS
Descriptor: CHLORIDE ION, PHOSPHOLIPASE A2
Authors:Tang, L, Zhou, Y, Lin, Z.
Deposit date:1997-12-25
Release date:1999-01-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of agkistrodotoxin, a phospholipase A2-type presynaptic neurotoxin from agkistrodon halys pallas.
J.Mol.Biol., 282, 1998
1C1J
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BU of 1c1j by Molmil
STRUCTURE OF CADMIUM-SUBSTITUTED PHOSPHOLIPASE A2 FROM AGKISTRONDON HALYS PALLAS AT 2.8 ANGSTROMS RESOLUTION
Descriptor: BASIC PHOSPHOLIPASE A2, CADMIUM ION, octyl beta-D-glucopyranoside
Authors:Zhang, H.-l, Zhang, Y.-q, Song, S.-y, Zhou, Y, Lin, Z.-j.
Deposit date:1999-07-22
Release date:2002-07-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of Cadmium-substituted Phospholipase A2 from Agkistrodon halys Pallas at 2.8 Angstroms Resolution
Protein Pept.Lett., 6, 1999
5K7K
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BU of 5k7k by Molmil
Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7: Discovery of Clinical Candidate PF-05089771
Descriptor: 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE
Authors:Swain, N, Chrencik, J.
Deposit date:2016-05-26
Release date:2017-06-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Clinical Candidate 4-[2-(5-Amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3-thiazol-4-ylbenzenesulfonamide (PF-05089771): Design and Optimization of Diaryl Ether Aryl Sulfonamides as Selective Inhibitors of NaV1.7.
J. Med. Chem., 60, 2017
4LX4
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BU of 4lx4 by Molmil
Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase(Endo-1,4-beta-glucanase)protein
Authors:Dutoit, R, Delsaute, M, Berlemont, R, Van Elder, D, Galleni, M, Bauvois, C.
Deposit date:2013-07-29
Release date:2014-07-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.556 Å)
Cite:Crystal structure determination of Pseudomonas stutzeri A1501 endoglucanase Cel5A: the search for a molecular basis for glycosynthesis in GH5_5 enzymes.
Acta Crystallogr D Struct Biol, 75, 2019
6UM8
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BU of 6um8 by Molmil
HIV Integrase in complex with Compound-14
Descriptor: (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, DI(HYDROXYETHYL)ETHER, Integrase, ...
Authors:Khan, J.A, Kish, K.
Deposit date:2019-10-09
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors.
J.Med.Chem., 63, 2020
3T48
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BU of 3t48 by Molmil
Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom
Descriptor: SCIN-D
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T46
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BU of 3t46 by Molmil
Crystal structure of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom
Descriptor: SCIN-D, SODIUM ION
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T49
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BU of 3t49 by Molmil
Crystal structure of truncated form of Staphylococcal Complement Inhibitor B (SCIN-B) at 1.5 Angstrom
Descriptor: Fibrinogen-binding protein, GLYCEROL, SULFATE ION
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T47
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BU of 3t47 by Molmil
Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.3 Angstrom
Descriptor: SCIN-D
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3HR5
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BU of 3hr5 by Molmil
M1prime peptide from IgE bound by humanized antibody 47H4 Fab
Descriptor: Fab h47H4 heavy chain, Fab h47H4 light chain, GLYCEROL, ...
Authors:Eigenbrot, C.W, Ultsch, M.H.
Deposit date:2009-06-08
Release date:2010-05-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antibodies specific for a segment of human membrane IgE deplete IgE-producing B cells in humanized mice.
J.Clin.Invest., 120, 2010
3T4A
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BU of 3t4a by Molmil
Structure of a truncated form of Staphylococcal Complement Inhibitor B bound to human C3c at 3.4 Angstrom resolution
Descriptor: Complement C3 beta chain, Complement C3c alpha' chain fragment 1, Complement C3c alpha' chain fragment 2, ...
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
6F6Z
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BU of 6f6z by Molmil
Mouse Thymidylate Synthase Cocrystallized with N(4)OHdCMP and Soaked in Methylenetetrahydrofolate
Descriptor: (2~{S})-2-[[4-[[(6~{R})-2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid, 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), Thymidylate synthase
Authors:Wilk, P, Jarmula, A, Maj, P, Rode, W.
Deposit date:2017-12-06
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.127 Å)
Cite:Molecular Mechanism of Thymidylate Synthase Inhibition by N4-Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies
Int J Mol Sci, 22, 2021
5FOA
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BU of 5foa by Molmil
Crystal Structure of Human Complement C3b in complex with DAF (CCP2-4)
Descriptor: COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA CHAIN, DECAY ACCELERATING FACTOR, ...
Authors:Forneris, F, Wu, J, Xue, X, Gros, P.
Deposit date:2015-11-18
Release date:2016-04-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (4.188 Å)
Cite:Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
5FO9
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BU of 5fo9 by Molmil
Crystal Structure of Human Complement C3b in Complex with CR1 (CCP15- 17)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN, ...
Authors:Forneris, F, Wu, J, Xue, X, Gros, P.
Deposit date:2015-11-18
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
5FO7
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BU of 5fo7 by Molmil
Crystal Structure of Human Complement C3b at 2.8 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA' CHAIN
Authors:Forneris, F, Wu, J, Xue, X, Gros, P.
Deposit date:2015-11-18
Release date:2016-04-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
1VKL
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BU of 1vkl by Molmil
RABBIT MUSCLE PHOSPHOGLUCOMUTASE
Descriptor: NICKEL (II) ION, PHOSPHOGLUCOMUTASE
Authors:Ray Junior, W.J, Baranidharan, S, Liu, Y.
Deposit date:1996-07-03
Release date:1997-01-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural changes at the metal ion binding site during the phosphoglucomutase reaction.
Biochemistry, 32, 1993
9J0C
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BU of 9j0c by Molmil
Site-Specific Introduction of Sulfoxides and Sulfones into Polyketide Scaffold through a Relayed Chemo-Biosynthetic Strategy
Descriptor: Acyl-CoA carboxylase subunit beta
Authors:Zhang, J, Qu, X.D.
Deposit date:2024-08-02
Release date:2025-01-22
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Site-Specific Introduction of Sulfoxides and Sulfones into Polyketide Scaffolds through a Relayed Chemo-Biosynthetic Strategy
ACS Catal., 15, 2025
8UAB
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BU of 8uab by Molmil
SARS-CoV-2 main protease (Mpro) complex with AC1115
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Authors:DuPrez, K.T, Chao, A, Han, F.Q.
Deposit date:2023-09-20
Release date:2024-02-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19
Med, 5, 2024
8UAC
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BU of 8uac by Molmil
CATHEPSIN L IN COMPLEX WITH AC1115
Descriptor: Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Authors:Chao, A, DuPrez, K.T, Han, F.Q.
Deposit date:2023-09-20
Release date:2024-02-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19.
Med, 5, 2024
5FOB
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BU of 5fob by Molmil
Crystal Structure of Human Complement C3b in complex with Smallpox Inhibitor of Complement (SPICE)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COMPLEMENT C3 BETA CHAIN, ...
Authors:Forneris, F, Wu, J, Xue, X, Gros, P.
Deposit date:2015-11-18
Release date:2016-04-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
5FO8
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BU of 5fo8 by Molmil
Crystal Structure of Human Complement C3b in Complex with MCP (CCP1-4)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C3, ...
Authors:Forneris, F, Wu, J, Xue, X, Gros, P.
Deposit date:2015-11-18
Release date:2016-04-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
4O9B
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BU of 4o9b by Molmil
The Structure of CC1-IH in human STIM1.
Descriptor: CADMIUM ION, Stromal interaction molecule 1
Authors:Cui, B, Yang, X, Li, S, Shen, Y.
Deposit date:2014-01-02
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:The inhibitory helix controls the intramolecular conformational switching of the C-terminus of STIM1.
Plos One, 8, 2013
5V6G
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BU of 5v6g by Molmil
Crystal structure of Influenza A virus Matrix Protein M1(NLS-88R)
Descriptor: Matrix protein 1
Authors:Musayev, F.N, Safo, M.K, Desai, U.R, Xie, H, Mosier, P.D, Chiang, M.-J.
Deposit date:2017-03-16
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017
5V7B
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BU of 5v7b by Molmil
Crystal structure of Influenza A virus matrix protein M1 (NLS-88E)
Descriptor: Matrix protein 1
Authors:Musayev, F.N, Safo, M.K, Desai, U.R, Xie, H, Mosier, P.D, Chiang, M.-J.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Maintaining pH-dependent conformational flexibility of M1 is critical for efficient influenza A virus replication.
Emerg Microbes Infect, 6, 2017

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