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Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor:	1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
Authors:	Raman, K, Babu, Y.S.
Deposit date:	2022-06-20
Release date:	2022-11-02
Last modified:	2024-10-23
Method:	X-RAY DIFFRACTION (2.214 Å)
Cite:	Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors. Bioorg.Med.Chem., 74, 2022

8DG6

Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor:	1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
Authors:	Raman, K, Babu, Y.S.
Deposit date:	2022-06-23
Release date:	2022-11-02
Last modified:	2024-10-16
Method:	X-RAY DIFFRACTION (1.986 Å)
Cite:	Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors. Bioorg.Med.Chem., 74, 2022

3IUF

Crystal structure of the C2H2-type zinc finger domain of human ubi-d4
Descriptor:	ZINC ION, Zinc finger protein ubi-d4
Authors:	Tempel, W, Xu, C, Bian, C, Adams-Cioaba, M, Eryilmaz, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:	2009-08-31
Release date:	2009-11-03
Last modified:	2024-02-21
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Crystal structure of the Cys2His2-type zinc finger domain of human DPF2. Biochem.Biophys.Res.Commun., 413, 2011

2FZN

Structure of the E. coli PutA proline dehydrogenase domain reduced by dithionite and complexed with proline
Descriptor:	Bifunctional protein putA, Proline dehydrogenase (EC 1.5.99.8) (Proline oxidase), FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:	Tanner, J.J.
Deposit date:	2006-02-09
Release date:	2006-12-26
Last modified:	2023-08-30
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Hydrogen Bonding Interactions of the 2-OH Ribityl Group and the N(5) Position of the FAD Cofactor Regulate PutA-membrane Associations in Escherichia coli To be Published

2FZM

Structure of the E. coli PutA proline dehydrogenase domain reduced by dithionite and complexed with SO2
Descriptor:	Bifunctional protein putA, Proline dehydrogenase (EC 1.5.99.8) (Proline oxidase), FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:	Tanner, J.J.
Deposit date:	2006-02-09
Release date:	2007-04-03
Last modified:	2023-08-30
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Redox-induced changes in flavin structure and roles of flavin N(5) and the ribityl 2'-OH group in regulating PutA--membrane binding. Biochemistry, 46, 2007

5C7J

CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT
Descriptor:	E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C
Authors:	Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:	2015-06-24
Release date:	2016-03-16
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (3 Å)
Cite:	System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016

3B6T

Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) T686A Mutant in Complex with Quisqualate at 2.1 Resolution
Descriptor:	(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 2, SULFATE ION
Authors:	Cho, Y, Lolis, E, Howe, J.R.
Deposit date:	2007-10-29
Release date:	2008-02-05
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating. J.Neurosci., 28, 2008

3B6Q

Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) Mutant T686A in Complex with Glutamate at 2.0 Resolution
Descriptor:	GLUTAMIC ACID, Glutamate receptor 2, SULFATE ION
Authors:	Cho, Y, Lolis, E, Howe, J.R.
Deposit date:	2007-10-29
Release date:	2008-02-05
Last modified:	2024-11-20
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating. J.Neurosci., 28, 2008

3B6W

Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) T686S Mutant in Complex with Glutamate at 1.7 Resolution
Descriptor:	GLUTAMIC ACID, Glutamate receptor 2, SULFATE ION
Authors:	Cho, Y, Lolis, E, Howe, J.R.
Deposit date:	2007-10-29
Release date:	2008-02-05
Last modified:	2024-10-30
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating. J.Neurosci., 28, 2008

5HPK

System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: NEDD4L and UbV NL.1
Descriptor:	E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin variant NL.1
Authors:	Wu, K.-P, Mukherjee, M, Mercredi, P.Y, Schulman, B.A.
Deposit date:	2016-01-20
Release date:	2016-03-16
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.431 Å)
Cite:	System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016

5HPT

System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1, Ubv P2.3 and UBCH7
Descriptor:	NEDD4-like E3 ubiquitin-protein ligase WWP1, Ubiquitin variant P2.3, Ubiquitin-conjugating enzyme E2 L3
Authors:	Wu, K.-P, Schulman, B.A.
Deposit date:	2016-01-20
Release date:	2016-03-16
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (2.84 Å)
Cite:	System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016

5HPL

System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: Rsp5 and UbV R5.4
Descriptor:	Rsp5, Ubiquitin variant R5.4
Authors:	Wu, K.-P, Kamadurai, H.B, Schulman, B.A.
Deposit date:	2016-01-20
Release date:	2016-03-16
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.31 Å)
Cite:	System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016

5HPS

System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1 and UbV P1.1
Descriptor:	Ubiquitin variant P1.1, WWP1 HECT
Authors:	Wu, K.-P, Mercredi, P.Y, Schulman, B.A.
Deposit date:	2016-01-20
Release date:	2016-03-16
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.05 Å)
Cite:	System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016

5NS9

Crystal structure of the GluA2 LBD (L483Y-N754S-L758V) in complex with glutamate
Descriptor:	2-(2-METHOXYETHOXY)ETHANOL, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ...
Authors:	Eibl, C, Plested, A.J.R.
Deposit date:	2017-04-25
Release date:	2017-09-13
Last modified:	2024-11-06
Method:	X-RAY DIFFRACTION (1.44 Å)
Cite:	Unitary Properties of AMPA Receptors with Reduced Desensitization. Biophys. J., 113, 2017

8JNJ

Structure of R932A/K1147A/H1148A mutant AE2
Descriptor:	Anion exchange protein 2
Authors:	Yin, Y.X, Ding, D.
Deposit date:	2023-06-06
Release date:	2024-02-07
Method:	ELECTRON MICROSCOPY (3.3 Å)
Cite:	Structural and functional insights into the lipid regulation of human anion exchanger 2. Nat Commun, 15, 2024

8JNI

Structure of AE2 in complex with PIP2
Descriptor:	Anion exchange protein 2, CHLORIDE ION, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Authors:	Yin, Y.X, Ding, D.
Deposit date:	2023-06-06
Release date:	2024-02-07
Last modified:	2024-11-06
Method:	ELECTRON MICROSCOPY (3.2 Å)
Cite:	Structural and functional insights into the lipid regulation of human anion exchanger 2. Nat Commun, 15, 2024

9LGW

Cryo-EM structure of SiAgo-Aga1 complex
Descriptor:	Piwi domain-containing protein, SiAgo-associated protein1, SiAga1
Authors:	Dai, Z.K, Guan, Z.Y, Zou, T.T.
Deposit date:	2025-01-10
Release date:	2025-02-19
Method:	ELECTRON MICROSCOPY (2.7 Å)
Cite:	Structural and mechanistic insights into the activation of a short prokaryotic argonaute system from archaeon Sulfolobus islandicus. Nucleic Acids Res., 53, 2025

6LCY

Crystal structure of Synaptotagmin-7 C2B in complex with IP6
Descriptor:	INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7
Authors:	Zhang, Y, Zhang, X, Rao, F, Wang, C.
Deposit date:	2019-11-20
Release date:	2021-03-03
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2.301 Å)
Cite:	5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis. Nat Metab, 3, 2021

5D1J

CRYSTAL STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2-WT) COMPLEX WITH N-[5-[[[5-(1,1-DIMETHYLETHYL)-2-OXAZOLYL] METHYL]THIO]-2-THIAZOLYL]-4-PIPERIDINECARBOXAMIDE (BMS-387032)
Descriptor:	Cyclin-dependent kinase 2, N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide
Authors:	Sack, J.S.
Deposit date:	2015-08-04
Release date:	2015-08-12
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	N-(Cycloalkylamino)Acyl-2-Aminothiazole Inhibitors Of Cyclin-Dependent Kinase 2. N-[5-[[[5-(1,1-Dimethylethyl) -2-Oxazolyl]Methyl]Thio]-2-Thiazolyl]-4-Piperidinecarboxamide (Bms-387032), A Highly Efficacious And Selective Antitumor Agent J.Med.Chem., 47, 2004

7FG9

Alpha-1,2-glucosyltransferase_UDP_tll1591
Descriptor:	Glycosyl transferase, URIDINE-5'-DIPHOSPHATE
Authors:	Su, J.Y.
Deposit date:	2021-07-26
Release date:	2022-06-01
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (2.66 Å)
Cite:	Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family Acta Biochim.Biophys.Sin., 54, 2022

7FGA

Alpha-1,2-glucosyltransferase_UDP_sucrose_tll1591
Descriptor:	Glycosyl transferase, URIDINE-5'-DIPHOSPHATE, alpha-D-glucopyranose-(1-1)-alpha-D-fructofuranose
Authors:	Su, J.Y.
Deposit date:	2021-07-26
Release date:	2022-06-01
Last modified:	2023-11-29
Method:	X-RAY DIFFRACTION (3.2 Å)
Cite:	Structural basis for glucosylsucrose synthesis by a member of the alpha-1,2-glucosyltransferase family Acta Biochim.Biophys.Sin., 54, 2022

6LDQ

Sucrose-phosphate synthase (tll1590)_27_220_406_426_from Thermosynechococcus elongatus (twinned)
Descriptor:	THIOCYANATE ION, Tll1590 protein
Authors:	Su, J.
Deposit date:	2019-11-22
Release date:	2020-05-27
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.92 Å)
Cite:	Co-crystal Structure ofThermosynechococcus elongatusSucrose Phosphate Synthase With UDP and Sucrose-6-Phosphate Provides Insight Into Its Mechanism of Action Involving an Oxocarbenium Ion and the Glycosidic Bond. Front Microbiol, 11, 2020

6LJP

Crystal structure of human galectin-16
Descriptor:	Galectin-16
Authors:	Su, J.
Deposit date:	2019-12-17
Release date:	2020-10-14
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity. Biochim Biophys Acta Gen Subj, 1865, 2020

6LJQ

human galectin-16 R55N
Descriptor:	Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:	Su, J.
Deposit date:	2019-12-17
Release date:	2020-10-14
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (1.49 Å)
Cite:	Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity. Biochim Biophys Acta Gen Subj, 1865, 2020

6LJR

human galectin-16 R55N/H57R
Descriptor:	Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:	Su, J.
Deposit date:	2019-12-17
Release date:	2020-10-14
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity. Biochim Biophys Acta Gen Subj, 1865, 2020

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