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5I1G
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BU of 5i1g by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV3-11
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION
Authors:Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
Deposit date:2016-02-05
Release date:2016-06-08
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5I1Q
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BU of 5i1q by Molmil
Second bromodomain of TAF1 bound to a pyrrolopyridone compound
Descriptor: 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1
Authors:Tang, Y, Poy, F, Bellon, S.F.
Deposit date:2016-01-09
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
8PFG
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BU of 8pfg by Molmil
autoinhibited RfaH bound to E. coli transcription complex paused at ops site (encounter complex), not fully complementary scaffold
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H.
Deposit date:2023-06-15
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
3R3Z
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BU of 3r3z by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate
Descriptor: Fluoroacetate dehalogenase, GLYCOLIC ACID, NICKEL (II) ION
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
8PIB
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BU of 8pib by Molmil
autoinhibited RfaH bound to E. coli transcription complex paused at ops site (encounter complex)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H.
Deposit date:2023-06-21
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
5I52
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BU of 5i52 by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263N
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-02-13
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
6RRG
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BU of 6rrg by Molmil
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3,5-DIFLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-05-17
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.127 Å)
Cite:The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
6RS5
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BU of 6rs5 by Molmil
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
Deposit date:2019-05-21
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
5I63
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BU of 5i63 by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263N in the presence of 1.2 MPa xenon
Descriptor: Beta-lactamase TEM, XENON
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-02-15
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
5I7U
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BU of 5i7u by Molmil
Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor
Descriptor: 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G.
Deposit date:2016-02-18
Release date:2016-06-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.
Acs Med.Chem.Lett., 7, 2016
8PHK
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BU of 8phk by Molmil
fully recruited RfaH bound to E. coli transcription complex paused at ops site
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuber, P.K, Said, N, Hilal, T, Loll, B, Wahl, M.C, Knauer, S.H.
Deposit date:2023-06-20
Release date:2024-04-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.
Nat Commun, 15, 2024
5IBH
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BU of 5ibh by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26h
Descriptor: 4,4'-(5-{[(1H-imidazol-4-yl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.0201 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
6RYI
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BU of 6ryi by Molmil
WUS-HD bound to G-Box DNA
Descriptor: DNA (5'-D(P*CP*CP*CP*AP*TP*CP*AP*CP*GP*TP*GP*AP*CP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*TP*CP*AP*CP*GP*TP*GP*AP*TP*GP*GP*G)-3'), Protein WUSCHEL
Authors:Sloan, J.J, Wild, K, Sinning, I.
Deposit date:2019-06-10
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.691 Å)
Cite:Structural basis for the complex DNA binding behavior of the plant stem cell regulator WUSCHEL.
Nat Commun, 11, 2020
8PPR
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BU of 8ppr by Molmil
Structure of the human outer kinetochore KMN network complex
Descriptor: Kinetochore protein Spc24, Kinetochore protein Spc25, Kinetochore scaffold 1, ...
Authors:Yatskevich, S, Barford, D.
Deposit date:2023-07-08
Release date:2024-03-20
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the human outer kinetochore KMN network complex.
Nat.Struct.Mol.Biol., 31, 2024
2V87
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BU of 2v87 by Molmil
Crystal structure of RAG2-PHD finger in complex with H3R2me2sK4me3 peptide
Descriptor: HISTONE H3.2, VDJ RECOMBINATION-ACTIVATING PROTEIN 2, ZINC ION
Authors:Ramon-Maiques, S, Yang, W.
Deposit date:2007-08-02
Release date:2007-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Plant Homeodomain Finger of Rag2 Recognizes Histone H3 Methylated at Both Lysine-4 and Arginine-2.
Proc.Natl.Acad.Sci.USA, 104, 2007
2V6F
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BU of 2v6f by Molmil
Structure of Progesterone 5beta-Reductase from Digitalis Lanata
Descriptor: PROGESTERONE 5-BETA-REDUCTASE, SODIUM ION
Authors:Thorn, A, Egerer-Sieber, C, Jaeger, C.M, Herl, V, Mueller-Uri, F, Kreis, W, Muller, Y.A.
Deposit date:2007-07-18
Release date:2007-11-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of Progesterone 5{Beta}-Reductase from Digitalis Lanata Defines a Novel Class of Short Chain Dehydrogenases/Reductases.
J.Biol.Chem., 283, 2008
2V6X
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BU of 2v6x by Molmil
Stractural insight into the interaction between ESCRT-III and Vps4
Descriptor: DOA4-INDEPENDENT DEGRADATION PROTEIN 4, SULFATE ION, VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 4
Authors:Obita, T, Perisic, O, Ghazi-Tabatabai, S, Saksena, S, Emr, S.D, Williams, R.L.
Deposit date:2007-07-23
Release date:2007-10-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Basis for Selective Recognition of Escrt-III by the Aaa ATPase Vps4
Nature, 449, 2007
6RH3
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BU of 6rh3 by Molmil
Cryo-EM structure of E. coli RNA polymerase elongation complex bound to CTP substrate
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Abdelkareem, M, Saint-Andre, C, Takacs, M, Papai, G, Crucifix, C, Guo, X, Ortiz, J, Weixlbaumer, A.
Deposit date:2019-04-18
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis of Transcription: RNA Polymerase Backtracking and Its Reactivation.
Mol.Cell, 75, 2019
2VJJ
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BU of 2vjj by Molmil
TAILSPIKE PROTEIN OF E.COLI BACTERIOPHAGE HK620 IN COMPLEX WITH HEXASACCHARIDE
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Mueller, J.J, Barbirz, S, Uetrecht, C, Seckler, R, Heinemann, U.
Deposit date:2007-12-11
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal Structure of Escherichia Coli Phage Hk620 Tailspike: Podoviral Tailspike Endoglycosidase Modules are Evolutionarily Related.
Mol.Microbiol., 69, 2008
2VKD
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BU of 2vkd by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF LETHAL TOXIN FROM CLOSTRIDIUM SORDELLII IN COMPLEX WITH UDP-GLC AND MANGANESE ION
Descriptor: CYTOTOXIN L, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Ziegler, M.O.P, Jank, T, Aktories, K, Schulz, G.E.
Deposit date:2007-12-18
Release date:2008-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Conformational Changes and Reaction of Clostridial Glycosylating Toxins.
J.Mol.Biol., 377, 2008
2V7C
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BU of 2v7c by Molmil
Crystal Structure of Rev-Erb beta
Descriptor: ORPHAN NUCLEAR RECEPTOR NR1D2
Authors:Woo, E.-J, Jeong, D.G, Lim, M.-Y, Kim, S.J, Ryu, S.E.
Deposit date:2007-07-29
Release date:2007-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight Into the Constitutive Repression Function of the Nuclear Receptor Rev-Erbbeta
J.Mol.Biol., 373, 2007
6RG5
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BU of 6rg5 by Molmil
Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-04-16
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.089 Å)
Cite:Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide
To Be Published
3R40
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BU of 3r40 by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo
Descriptor: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
Deposit date:2011-03-16
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
6RIG
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BU of 6rig by Molmil
Human Carbonic Anhydrase II in complex with 4-Hydroxybenzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-oxidanylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-04-24
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.999 Å)
Cite:Human Carbonic Anhydrase II in complex with 4-Hydroxybenzenesulfonamide
To Be Published
2UZX
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BU of 2uzx by Molmil
Structure of the human receptor tyrosine kinase Met in complex with the Listeria monocytogenes invasion protein InlB: Crystal form I
Descriptor: HEPATOCYTE GROWTH FACTOR RECEPTOR, INTERNALIN B
Authors:Niemann, H.H, Jager, V, Butler, P.J.G, Van Den Heuvel, J, Schmidt, S, Ferraris, D, Gherardi, E, Heinz, D.W.
Deposit date:2007-05-02
Release date:2007-08-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Human Receptor Tyrosine Kinase met in Complex with the Listeria Invasion Protein Inlb
Cell(Cambridge,Mass.), 130, 2007

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