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1GSI
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BU of 1gsi by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP)
Descriptor: ACETATE ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D.
Deposit date:2002-01-03
Release date:2002-03-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals
Acta Crystallogr.,Sect.D, 58, 2002
1GYU
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BU of 1gyu by Molmil
Gamma-adaptin appendage domain from clathrin adaptor AP1
Descriptor: ADAPTER-RELATED PROTEIN COMPLEX 1 GAMMA 1 SUBUNIT
Authors:Evans, P.R, Owen, D.J, McMahon, H.M, Kent, H.M.
Deposit date:2002-04-30
Release date:2002-08-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Gamma-Adaptin Appendage Domain. Structure and Binding Site for Eps15 and Gamma-Synergin
Structure, 10, 2002
6OW4
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BU of 6ow4 by Molmil
Structure of the NADH-bound form of 20beta-Hydroxysteroid Dehydrogenase from Bifidobacterium adolescentis strain L2-32
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase, short chain dehydrogenase/reductase family protein
Authors:Mythen, S.M, Pollet, R.M, Koropatkin, N.M, Ridlon, J.M.
Deposit date:2019-05-09
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural and biochemical characterization of 20 beta-hydroxysteroid dehydrogenase fromBifidobacterium adolescentisstrain L2-32.
J.Biol.Chem., 294, 2019
8C1V
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BU of 8c1v by Molmil
SARS-CoV-2 S-trimer (3 RBDs up) bound to TriSb92, fitted into cryo-EM map
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sb92, ...
Authors:Huiskonen, J.T, Rissanen, I, Hannula, L.
Deposit date:2022-12-21
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Intranasal trimeric sherpabody inhibits SARS-CoV-2 including recent immunoevasive Omicron subvariants.
Nat Commun, 14, 2023
1HA6
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BU of 1ha6 by Molmil
NMR Solution Structure of Murine CCL20/MIP-3a Chemokine
Descriptor: MACROPHAGE INFLAMMATORY PROTEIN 3 ALPHA
Authors:Perez-Canadillas, J.M, Zaballos, A, Gutierrez, J, Varona, R, Roncal, F, Albar, J.P, Marquez, G, Bruix, M.
Deposit date:2001-03-28
Release date:2001-08-22
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR Solution Structure of Murine Ccl20/Mip3-A, a Chemiokine that Specifically Chemoattracs Immature Dendritic Cells and Lymphocytes Through its Highly Specific Interaction with the Beta-Chemokine Receptor Ccr6
J.Biol.Chem., 276, 2001
8CNH
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BU of 8cnh by Molmil
Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Adenylate cyclase type 10, ...
Authors:Steegborn, C.
Deposit date:2023-02-23
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COJ
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BU of 8coj by Molmil
Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C, Fushimi, M.
Deposit date:2023-02-28
Release date:2023-04-26
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
3O70
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BU of 3o70 by Molmil
PHD-type zinc finger of human PHD finger protein 13
Descriptor: GLYCEROL, PHD finger protein 13, ZINC ION
Authors:Lam, R, Bian, C.B, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-07-29
Release date:2010-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3.
Elife, 5, 2016
3AB3
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BU of 3ab3 by Molmil
Crystal structure of p115RhoGEF RGS domain in complex with G alpha 13
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, Guanine nucleotide-binding protein subunit alpha-13, ...
Authors:Kukimoto-Niino, M, Mishima, C, Shirouzu, M, Kozasa, T, Yokoyama, S.
Deposit date:2009-11-30
Release date:2010-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of critical residues in G(alpha)13 for stimulation of p115RhoGEF activity and the structure of the G(alpha)13-p115RhoGEF regulator of G protein signaling homology (RH) domain complex.
J.Biol.Chem., 286, 2011
3AGM
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BU of 3agm by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670
Descriptor: N~2~-{8-OXO-8-[4-(9H-PURIN-6-YL)PIPERAZIN-1-YL]OCTANOYL}-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGININAMIDE, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A.
Deposit date:2010-04-02
Release date:2010-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010
1GVL
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BU of 1gvl by Molmil
Human prokallikrein 6 (hK6)/ prozyme/ proprotease M/ proneurosin
Descriptor: KALLIKREIN 6
Authors:Gomis-Ruth, F.X, Bayes, A, Sotiropoulou, G, Pampalakis, G, Tsetsenis, T, Villegas, V, Aviles, F.X, Coll, M.
Deposit date:2002-02-14
Release date:2002-05-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Structure of Human Prokallikrein 6 Reveals a Novel Activation Mechanism for the Kallikrein Family.
J.Biol.Chem., 277, 2002
8FYV
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BU of 8fyv by Molmil
Salmonella enterica serovar Typhimurium chemoreceptor Tsr (taxis to serine and repellents) ligand-binding domain in complex with l-serine
Descriptor: CHLORIDE ION, Methyl-accepting chemotaxis protein, SERINE, ...
Authors:Baylink, A, Gentry-Lear, Z, Glenn, S.
Deposit date:2023-01-26
Release date:2024-05-15
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bacterial vampirism mediated through taxis to serum.
Elife, 12, 2024
1H8X
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BU of 1h8x by Molmil
Domain-swapped Dimer of a Human Pancreatic Ribonuclease Variant
Descriptor: RIBONUCLEASE 1
Authors:Canals, A, Pous, J, Guasch, A, Benito, A, Ribo, M, Vilanova, M, Coll, M.
Deposit date:2001-02-16
Release date:2002-02-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of an Engineered Domain-Swapped Ribonuclease Dimer and its Implications for the Evolution of Proteins Toward Oligomerization
Structure, 9, 2001
1H3G
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BU of 1h3g by Molmil
Cyclomaltodextrinase from Flavobacterium sp. No. 92: from DNA sequence to protein structure
Descriptor: CALCIUM ION, Cyclomaltodextrinase
Authors:Fritzsche, H.B, Schwede, T, Jelakovic, S, Schulz, G.E.
Deposit date:2002-09-03
Release date:2003-08-14
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Covalent and Three-Dimensional Structure of the Cyclodextrinase from Flavobacterium Sp. No. 92.
Eur.J.Biochem., 270, 2003
6K1J
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BU of 6k1j by Molmil
Human nucleosome core particle with H2A.X variant
Descriptor: CHLORIDE ION, DNA (145-MER), Histone H2AX, ...
Authors:Sharma, D, De Falco, L, Davey, C.A.
Deposit date:2019-05-10
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
1HAQ
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BU of 1haq by Molmil
FOUR MODELS OF HUMAN FACTOR H DETERMINED BY SOLUTION SCATTERING CURVE-FITTING AND HOMOLOGY MODELLING
Descriptor: COMPLEMENT FACTOR H
Authors:Aslam, M, Perkins, S.J.
Deposit date:2001-04-06
Release date:2002-04-05
Last modified:2024-05-08
Method:SOLUTION SCATTERING
Cite:Folded-Back Solution Structure of Monomeric Factor H of Human Complement by Synchrotron X-Ray and Neutron Scattering, Analytical Ultracentrifugation and Constrained Molecular Modelling.
J.Mol.Biol., 309, 2001
1HQV
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BU of 1hqv by Molmil
STRUCTURE OF APOPTOSIS-LINKED PROTEIN ALG-2
Descriptor: CALCIUM ION, PROGRAMMED CELL DEATH PROTEIN 6
Authors:Jia, J, Tarabykina, S, Hansen, C, Berchtold, M, Cygler, M.
Deposit date:2000-12-19
Release date:2001-05-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of apoptosis-linked protein ALG-2: insights into Ca2+-induced changes in penta-EF-hand proteins.
Structure, 9, 2001
1HW3
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BU of 1hw3 by Molmil
STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE
Authors:Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
Deposit date:2001-01-09
Release date:2001-01-24
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
1HMF
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BU of 1hmf by Molmil
STRUCTURE OF THE HMG BOX MOTIF IN THE B-DOMAIN OF HMG1
Descriptor: HIGH MOBILITY GROUP PROTEIN FRAGMENT-B
Authors:Weir, H.M, Kraulis, P.J, Hill, C.S, Raine, A.R.C, Laue, E.D, Thomas, J.O.
Deposit date:1994-03-07
Release date:1994-05-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the HMG box motif in the B-domain of HMG1.
EMBO J., 12, 1993
1HLL
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BU of 1hll by Molmil
NMR STRUCTURE OF T3-I2, A 32 RESIDUE PEPTIDE FROM THE ALPHA-2A ADRENERGIC RECEPTOR
Descriptor: ALPHA-2A ADRENERGIC RECEPTOR
Authors:Chung, D.A, Zuiderweg, E.R.P, Neubig, R.R.
Deposit date:2000-12-01
Release date:2002-04-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the second intracellular loop of the alpha 2A adrenergic receptor: evidence for a novel cytoplasmic helix.
Biochemistry, 41, 2002
6HGD
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BU of 6hgd by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-0: a new binding globulin variant that is devoid of any cortisol-binding capabilities
Descriptor: Alpha-1-antichymotrypsin
Authors:Gardill, B.R, Schmidt, K, Muller, Y.A.
Deposit date:2018-08-23
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
6HGG
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BU of 6hgg by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with cortisol
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2018-08-23
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
6HGM
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BU of 6hgm by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III-allo: an allosterically controlled new binding globulin with an unprecedentedly high ligand release efficacy
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CALCIUM ION, ...
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2018-08-23
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
6HNJ
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BU of 6hnj by Molmil
The ligand-bound, open structure of CD0873, a substrate binding protein with adhesive properties from Clostridium difficile.
Descriptor: 1,2-ETHANEDIOL, ABC-type transport system, sugar-family extracellular solute-binding protein, ...
Authors:Bradshaw, W.J, Kovacs-Simon, A, Harmer, N.J, Michell, S.L, Acharya, K.R.
Deposit date:2018-09-15
Release date:2019-08-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular features of lipoprotein CD0873: A potential vaccine against the human pathogenClostridioides difficile.
J.Biol.Chem., 294, 2019
1HVY
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Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, THYMIDYLATE SYNTHASE, ...
Authors:Phan, J, Koli, S, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
Deposit date:2001-01-08
Release date:2001-01-31
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug
Biochemistry, 40, 2001

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