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1FLT
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VEGF IN COMPLEX WITH DOMAIN 2 OF THE FLT-1 RECEPTOR
Descriptor: FMS-LIKE TYROSINE KINASE 1, VASCULAR ENDOTHELIAL GROWTH FACTOR
Authors:Wiesmann, C, De Vos, A.M.
Deposit date:1997-11-20
Release date:1999-01-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure at 1.7 A resolution of VEGF in complex with domain 2 of the Flt-1 receptor.
Cell(Cambridge,Mass.), 91, 1997
1MQJ
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Crystal structure of the GluR2 ligand binding core (S1S2J) in complex with willardiine at 1.65 angstroms resolution
Descriptor: 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, ZINC ION, glutamate receptor 2
Authors:Jin, R, Banke, T.G, Mayer, M.L, Traynelis, S.F, Gouaux, E.
Deposit date:2002-09-16
Release date:2003-08-05
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for partial agonist action at ionotropic glutamate receptors
Nat.Neurosci., 6, 2003
1MQP
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BU of 1mqp by Molmil
THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-6
Descriptor: GLYCEROL, alpha-D-glucuronidase
Authors:Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
Deposit date:2002-09-17
Release date:2003-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications.
J.Biol.Chem., 279, 2004
1M00
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BU of 1m00 by Molmil
Rat neuronal NOS heme domain with N-butyl-N'-hydroxyguanidine bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-BUTYL-N'-HYDROXYGUANIDINE, ...
Authors:Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L.
Deposit date:2002-06-11
Release date:2002-11-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide Synthase Provides Mechanistic Insights into NO Biosynthesis
Biochemistry, 41, 2002
6BGU
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine (Compound N9)
Descriptor: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH2
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BU of 6bh2 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-N-(1-(3-isopropyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl)cyclopropanecarboxamide (Compound N54)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BHU
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BU of 6bhu by Molmil
Cryo-EM structure of ATP-bound, outward-facing bovine multidrug resistance protein 1 (MRP1)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, MAGNESIUM ION, ...
Authors:Johnson, Z.L, Chen, J.
Deposit date:2017-10-31
Release date:2017-12-27
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:ATP Binding Enables Substrate Release from Multidrug Resistance Protein 1.
Cell, 172, 2018
1H6V
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BU of 1h6v by Molmil
Mammalian thioredoxin reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOREDOXIN REDUCTASE
Authors:Sandalova, T, Zhong, L, Lindqvist, Y, Holmgren, A, Schneider, G.
Deposit date:2001-06-27
Release date:2001-08-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Three-Dimensional Structure of a Mammalian Thioredoxin Reductase: Implication for Mechanism and Evolution of a Selenocysteine Dependent Enzyme
Proc.Natl.Acad.Sci.USA, 98, 2001
6BKA
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BU of 6bka by Molmil
Crystal Structure of Nitronate Monooxygenase from Cyberlindnera saturnus
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Agniswamy, J, Fang, Y.-F, Weber, I.T.
Deposit date:2017-11-08
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of yeast nitronate monooxygenase from Cyberlindnera saturnus.
Proteins, 86, 2018
6BMZ
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BU of 6bmz by Molmil
Influenza A M2 transmembrane domain bound to a spiroadamantane inhibitor
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, CHLORIDE ION, Matrix protein 2
Authors:Thomaston, J.L, DeGrado, W.F.
Deposit date:2017-11-15
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.634 Å)
Cite:Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
1KSK
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BU of 1ksk by Molmil
STRUCTURE OF RSUA
Descriptor: RIBOSOMAL SMALL SUBUNIT PSEUDOURIDINE SYNTHASE A, URACIL
Authors:Sivaraman, J, Sauve, V, Larocque, R, Stura, E.A, Schrag, J.D, Cygler, M, Matte, A.
Deposit date:2002-01-13
Release date:2002-04-24
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the 16S rRNA pseudouridine synthase RsuA bound to uracil and UMP.
Nat.Struct.Biol., 9, 2002
6BL4
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BU of 6bl4 by Molmil
Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate
Descriptor: 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2017-11-09
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
7GSL
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BU of 7gsl by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000274b
Descriptor: 2-(methylsulfanyl)pyridine-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
6BNI
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BU of 6bni by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and Adenosine
Descriptor: 1,2-ETHANEDIOL, ADENOSINE, LYSINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-11-16
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and Adenosine
to be published
6BMF
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BU of 6bmf by Molmil
Vps4p-Vta1p complex with peptide binding to the central pore of Vps4p
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Han, H, Monroe, N, Shen, P, Sundquist, W.I, Hill, C.P.
Deposit date:2017-11-14
Release date:2017-12-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The AAA ATPase Vps4 binds ESCRT-III substrates through a repeating array of dipeptide-binding pockets.
Elife, 6, 2017
6BNM
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BU of 6bnm by Molmil
Crystal Structure of the P-Rex2 PH domain
Descriptor: CHLORIDE ION, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 2 protein
Authors:Cash, J.N, Sharma, P.V, Tesmer, J.J.G.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biochemical characterization of the pleckstrin homology domain of the RhoGEF P-Rex2 and its regulation by PIP3.
J.Struct.Biol., 1, 2019
7GT0
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BU of 7gt0 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000275a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-benzyl-N'-methyl-N-[(pyridin-3-yl)methyl]thiourea, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTA
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BU of 7gta by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000065a
Descriptor: (5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTL
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BU of 7gtl by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000554a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, benzyl (3aS,8aS)-1-oxooctahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
1KV7
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BU of 1kv7 by Molmil
Crystal Structure of CueO, a multi-copper oxidase from E. coli involved in copper homeostasis
Descriptor: COPPER (II) ION, CU-O-CU LINKAGE, PROBABLE BLUE-COPPER PROTEIN YACK
Authors:Roberts, S.A, Weichsel, A, Grass, G, Thakali, K, Hazzard, J.T, Tollin, G, Rensing, C, Montfort, W.R.
Deposit date:2002-01-25
Release date:2002-02-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure and electron transfer kinetics of CueO, a multicopper oxidase required for copper homeostasis in Escherichia coli.
Proc.Natl.Acad.Sci.USA, 99, 2002
6BQ1
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BU of 6bq1 by Molmil
Human PI4KIIIa lipid kinase complex
Descriptor: 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide, Phosphatidylinositol 4-kinase III alpha (PI4KA), Protein FAM126A, ...
Authors:Lees, J.A, Zhang, Y, Oh, M, Schauder, C.M, Yu, X, Baskin, J, Dobbs, K, Notarangelo, L.D, Camilli, P.D, Walz, T, Reinisch, K.M.
Deposit date:2017-11-27
Release date:2017-12-13
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Architecture of the human PI4KIII alpha lipid kinase complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7GSM
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BU of 7gsm by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000437b
Descriptor: (5P)-5-(furan-2-yl)thiophene-2-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
6BRS
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BU of 6brs by Molmil
The Crystal Structure of the Ferredoxin Protease FusC in complex with Arabidopsis Ferredoxin, Ethylmercury phosphate soaked dataset
Descriptor: Ferredoxin-2, chloroplastic, MERCURY (II) ION, ...
Authors:Grinter, R.
Deposit date:2017-11-30
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:FusC, a member of the M16 protease family acquired by bacteria for iron piracy against plants.
PLoS Biol., 16, 2018
7GU5
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BU of 7gu5 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster12
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU4
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BU of 7gu4 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster11
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published

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